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37073-18-0 molecular structure
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N-(2-aminophenyl)methanesulfonamide

ChemBase ID: 254407
Molecular Formular: C7H10N2O2S
Molecular Mass: 186.2315
Monoisotopic Mass: 186.04629857
SMILES and InChIs

SMILES:
S(=O)(=O)(Nc1c(N)cccc1)C
Canonical SMILES:
Nc1ccccc1NS(=O)(=O)C
InChI:
InChI=1S/C7H10N2O2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,8H2,1H3
InChIKey:
BGPNDOBOLHJJEE-UHFFFAOYSA-N

Cite this record

CBID:254407 http://www.chembase.cn/molecule-254407.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-aminophenyl)methanesulfonamide
IUPAC Traditional name
N-(2-aminophenyl)methanesulfonamide
Synonyms
N-(2-aminophenyl)methanesulfonamide
CAS Number
37073-18-0
MDL Number
MFCD09045405
PubChem SID
164310317
PubChem CID
241357

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 241357 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.461076  H Acceptors
H Donor LogD (pH = 5.5) -0.48828235 
LogD (pH = 7.4) -0.48300308  Log P -0.48254097 
Molar Refractivity 47.4416 cm3 Polarizability 18.644161 Å3
Polar Surface Area 72.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
102 - 104°C expand Show data source
Hydrophobicity(logP)
-0.276 expand Show data source
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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