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4-chloro-N-phenylbenzenesulfonamide

HCID 766444
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
7454-47-9
Standard SMILES
O=S(=O)(Nc1ccccc1)c1ccc(Cl)cc1
InChIKey
ISOSXVUVKUIPHF-UHFFFAOYSA-N
Molecular formula
C12H10ClNO2S
Average molar mass
267.73 g/mol
Monoisotopic mass
267.0120774

Names & identifiers

Preferred name
4-chloro-N-phenylbenzenesulfonamide
IUPAC
4-chloro-N-phenylbenzenesulfonamide
English name
Benzenesulfonamide, 4-chloro-N-phenyl-
Molecular formula
C12H10ClNO2S
Molecular weight
267.73

Names & synonyms

4-chloro-N-phenylbenzenesulfonamide7454-47-94-chloro-N-phenylbenzene-1-sulfonamideBenzenesulfonamide, 4-chloro-N-phenyl-MFCD00443139SCHEMBL751419CHEMBL180438SCHEMBL1638710SCHEMBL4142277SCHEMBL7584032SCHEMBL27874742DTXSID50354207
Show more names
HMS1749I024-Chloro-N-phenyl-benzenesulfonamideSTK899560AKOS001022257CS-0317212EU-0034244AB00722938-0112H-903

Database identifiers

CAS
7454-47-9
PubChem CID
766444
DTXSID
DTXSID50354207
ChEMBL
CHEMBL180438
Nikkaji
J3.276.138K

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
54.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
325

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338
HS Code
2935909099 · 2935909099

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2935909099
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

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