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(2,5-dioxoimidazolidin-4-yl)urea; 4-aminobenzene-1-sulfonamide
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ChemBase ID:
108958
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Molecular Formular:
C10H14N6O5S
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Molecular Mass:
330.32036
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Monoisotopic Mass:
330.07463858
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SMILES and InChIs
SMILES:
NC(=O)NC1NC(=O)NC1=O.Nc1ccc(cc1)S(=O)(=O)N
Canonical SMILES:
Nc1ccc(cc1)S(=O)(=O)N.NC(=O)NC1NC(=O)NC1=O
InChI:
InChI=1S/C6H8N2O2S.C4H6N4O3/c7-5-1-3-6(4-2-5)11(8,9)10;5-3(10)6-1-2(9)8-4(11)7-1/h1-4H,7H2,(H2,8,9,10);1H,(H3,5,6,10)(H2,7,8,9,11)
InChIKey:
PHHWJLGRLLCZRO-UHFFFAOYSA-N
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Cite this record
CBID:108958 http://www.chembase.cn/molecule-108958.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2,5-dioxoimidazolidin-4-yl)urea; 4-aminobenzene-1-sulfonamide
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IUPAC Traditional name
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Synonyms
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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8.929712
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H Acceptors
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3
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H Donor
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4
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LogD (pH = 5.5)
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-2.4895344
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LogD (pH = 7.4)
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-3.7014818
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Log P
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-2.3605409
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Molar Refractivity
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32.0225 cm3
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Polarizability
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12.4722 Å3
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Polar Surface Area
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113.32 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
MP Biomedicals
PATENTS
PATENTS
PubChem Patent
Google Patent