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83019-90-3 molecular structure
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N-(2-aminoethyl)-4-chlorobenzene-1-sulfonamide

ChemBase ID: 311973
Molecular Formular: C8H11ClN2O2S
Molecular Mass: 234.70314
Monoisotopic Mass: 234.02297628
SMILES and InChIs

SMILES:
S(=O)(=O)(c1ccc(cc1)Cl)NCCN
Canonical SMILES:
NCCNS(=O)(=O)c1ccc(cc1)Cl
InChI:
InChI=1S/C8H11ClN2O2S/c9-7-1-3-8(4-2-7)14(12,13)11-6-5-10/h1-4,11H,5-6,10H2
InChIKey:
MWEBCGQFQBAAJP-UHFFFAOYSA-N

Cite this record

CBID:311973 http://www.chembase.cn/molecule-311973.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-aminoethyl)-4-chlorobenzene-1-sulfonamide
IUPAC Traditional name
N-(2-aminoethyl)-4-chlorobenzenesulfonamide
Synonyms
N-(2-aminoethyl)-4-chlorobenzenesulfonamide
CAS Number
83019-90-3
MDL Number
MFCD03634546

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3225815  LogD (pH = 7.4) -1.0965779 
Log P 0.17268321  Molar Refractivity 55.8672 cm3
Polarizability 22.739313 Å3 Polar Surface Area 72.19 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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