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162104107 molecular structure
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4-{2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl}benzene-1-sulfonamide

ChemBase ID: 72305
Molecular Formular: C18H19N3O4S
Molecular Mass: 373.42616
Monoisotopic Mass: 373.1096271
SMILES and InChIs

SMILES:
C1C(=O)N(C(=O)C1NCCc1ccc(cc1)S(=O)(=O)N)c1ccccc1
Canonical SMILES:
O=C1C(NCCc2ccc(cc2)S(=O)(=O)N)CC(=O)N1c1ccccc1
InChI:
InChI=1S/C18H19N3O4S/c19-26(24,25)15-8-6-13(7-9-15)10-11-20-16-12-17(22)21(18(16)23)14-4-2-1-3-5-14/h1-9,16,20H,10-12H2,(H2,19,24,25)
InChIKey:
PCZMDRVHMOCOJG-UHFFFAOYSA-N

Cite this record

CBID:72305 http://www.chembase.cn/molecule-72305.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl}benzene-1-sulfonamide
IUPAC Traditional name
4-{2-[(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl}benzenesulfonamide
Synonyms
4-{2-[(2,5-Dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl}benzenesulfonamide
PubChem SID
162104107
PubChem CID
2877360

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 2877360 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.406607  H Acceptors
H Donor LogD (pH = 5.5) -1.4721749 
LogD (pH = 7.4) 0.25648436  Log P 1.1178682 
Molar Refractivity 96.2515 cm3 Polarizability 38.25667 Å3
Polar Surface Area 109.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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