2-bromobenzenesulfonamide;hydrochloride

C6H7BrClNO2S — CID 172836390

IUPAC2-bromobenzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C6H6BrNO2S.ClH/c7-5-3-1-2-4-6(5)11(8,9)10;/h1-4H,(H2,8,9,10);1H
InChIKeyWEYOTRVCUXTHQV-UHFFFAOYSA-N
MW272.55 g/mol
LogP1.52
Rot. Bonds1

About 2-bromobenzenesulfonamide;hydrochloride

2-bromobenzenesulfonamide;hydrochloride (PubChem CID 172836390) has the molecular formula C6H7BrClNO2S and a molecular weight of 272.55 g/mol. Its IUPAC name is 2-bromobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-bromobenzenesulfonamide;hydrochloride
PubChem CID172836390
Molecular FormulaC6H7BrClNO2S
Molecular Weight272.55 g/mol
Exact Mass270.91
IUPAC Name2-bromobenzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C6H6BrNO2S.ClH/c7-5-3-1-2-4-6(5)11(8,9)10;/h1-4H,(H2,8,9,10);1H
InChIKeyWEYOTRVCUXTHQV-UHFFFAOYSA-N
XLogP1.52
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.55
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(amino-methylidene-oxo-λ6-sulfanyl)-2-bromobenzene
CID 91226081
2-bromobenzenesulfonate
CID 23001018
2-(2-bromophenyl)sulfanylbenzenesulfonamide
CID 15561583
2-bromobenzenesulfonyl chloride;ethane
CID 145241155
2-methylbenzenesulfonamide
CID 6924
2-sulfanylbenzenesulfonamide
CID 11041532
1-bromo-2-(trichloromethylsulfonyl)benzene
CID 20582616
1-bromo-2-(chloromethylsulfonyl)benzene
CID 13279454
2-bromo-N-methylbenzenesulfonamide
CID 850141
carbamoyl 2-bromobenzenesulfonate
CID 175318576
(2-bromophenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125424894
2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide
CID 6186872

Frequently Asked Questions

What is the IUPAC name of 2-bromobenzenesulfonamide;hydrochloride?
The IUPAC name of 2-bromobenzenesulfonamide;hydrochloride (CID 172836390) is 2-bromobenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-bromobenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-bromobenzenesulfonamide;hydrochloride is Cl.NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromobenzenesulfonamide;hydrochloride?
The InChIKey is WEYOTRVCUXTHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO2S.ClH/c7-5-3-1-2-4-6(5)11(8,9)10;/h1-4H,(H2,8,9,10);1H.
What are the key properties of 2-bromobenzenesulfonamide;hydrochloride?
2-bromobenzenesulfonamide;hydrochloride has a molecular weight of 272.55 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 172836390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).