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162104118 molecular structure
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2-chloro-N-(4-sulfamoylphenyl)propanamide

ChemBase ID: 72336
Molecular Formular: C9H11ClN2O3S
Molecular Mass: 262.71324
Monoisotopic Mass: 262.0178909
SMILES and InChIs

SMILES:
S(=O)(=O)(c1ccc(NC(=O)C(Cl)C)cc1)N
Canonical SMILES:
CC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)Cl
InChI:
InChI=1S/C9H11ClN2O3S/c1-6(10)9(13)12-7-2-4-8(5-3-7)16(11,14)15/h2-6H,1H3,(H,12,13)(H2,11,14,15)
InChIKey:
CSFIQGHVRLMMHX-UHFFFAOYSA-N

Cite this record

CBID:72336 http://www.chembase.cn/molecule-72336.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(4-sulfamoylphenyl)propanamide
IUPAC Traditional name
2-chloro-N-(4-sulfamoylphenyl)propanamide
Synonyms
N-[4-(Aminosulfonyl)phenyl]-2-chloropropanamide
PubChem SID
162104118
PubChem CID
3928167

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 3928167 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.26796  H Acceptors
H Donor LogD (pH = 5.5) 0.92308843 
LogD (pH = 7.4) 0.92257375  Log P 0.923095 
Molar Refractivity 62.326 cm3 Polarizability 24.275366 Å3
Polar Surface Area 89.26 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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