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22185-74-6 molecular structure
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4-amino-3-chloro-N-methylbenzene-1-sulfonamide

ChemBase ID: 289050
Molecular Formular: C7H9ClN2O2S
Molecular Mass: 220.67656
Monoisotopic Mass: 220.00732622
SMILES and InChIs

SMILES:
O=S(=O)(c1ccc(N)c(Cl)c1)NC
Canonical SMILES:
CNS(=O)(=O)c1ccc(c(c1)Cl)N
InChI:
InChI=1S/C7H9ClN2O2S/c1-10-13(11,12)5-2-3-7(9)6(8)4-5/h2-4,10H,9H2,1H3
InChIKey:
FZMFXPJCENUTLS-UHFFFAOYSA-N

Cite this record

CBID:289050 http://www.chembase.cn/molecule-289050.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-amino-3-chloro-N-methylbenzene-1-sulfonamide
IUPAC Traditional name
4-amino-3-chloro-N-methylbenzenesulfonamide
Synonyms
4-Amino-3-chloro-N-methylbenzenesulfonamide
CAS Number
22185-74-6
MDL Number
MFCD01657674
PubChem SID
180674581
PubChem CID
211073

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD215985 Please log in.
Data Source Data ID
PubChem 211073 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.244639  H Acceptors
H Donor LogD (pH = 5.5) 0.5780514 
LogD (pH = 7.4) 0.5775214  Log P 0.57807136 
Molar Refractivity 52.6178 cm3 Polarizability 20.550388 Å3
Polar Surface Area 72.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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