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138-37-4 molecular structure
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hydrogen 4-(aminomethyl)benzene-1-sulfonamide chloride

ChemBase ID: 293723
Molecular Formular: C7H10ClN2O2S-
Molecular Mass: 221.6845
Monoisotopic Mass: 221.01515125
SMILES and InChIs

SMILES:
c1c(S(=O)(=O)N)ccc(c1)CN.[Cl-]
Canonical SMILES:
NCc1ccc(cc1)S(=O)(=O)N.[Cl-]
InChI:
InChI=1S/C7H10N2O2S.ClH/c8-5-6-1-3-7(4-2-6)12(9,10)11;/h1-4H,5,8H2,(H2,9,10,11);1H/p-1
InChIKey:
SIACJRVYIPXFKS-UHFFFAOYSA-M

Cite this record

CBID:293723 http://www.chembase.cn/molecule-293723.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hydrogen 4-(aminomethyl)benzene-1-sulfonamide chloride
IUPAC Traditional name
hydrogen emilene chloride
Synonyms
4-Aminomethylbenzenesulfonamide hydrochloride
CAS Number
138-37-4
MDL Number
MFCD00013005
PubChem SID
180679254
PubChem CID
21966514

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD3805 Please log in.
Data Source Data ID
PubChem 21966514 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.268118  H Acceptors
H Donor LogD (pH = 5.5) -3.2564728 
LogD (pH = 7.4) -2.1509197  Log P -0.54320914 
Molar Refractivity 46.6893 cm3 Polarizability 18.980124 Å3
Polar Surface Area 86.18 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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