2-bromo-3-chloro-N-methylbenzenesulfonamide

C7H7BrClNO2S — CID 130173119

IUPAC2-bromo-3-chloro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Cl)c1Br
InChIInChI=1S/C7H7BrClNO2S/c1-10-13(11,12)6-4-2-3-5(9)7(6)8/h2-4,10H,1H3
InChIKeyDODYJHZACYXKJY-UHFFFAOYSA-N
MW284.56 g/mol
LogP2.01
Rot. Bonds2

About 2-bromo-3-chloro-N-methylbenzenesulfonamide

2-bromo-3-chloro-N-methylbenzenesulfonamide (PubChem CID 130173119) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-3-chloro-N-methylbenzenesulfonamide
PubChem CID130173119
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name2-bromo-3-chloro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Cl)c1Br
InChIInChI=1S/C7H7BrClNO2S/c1-10-13(11,12)6-4-2-3-5(9)7(6)8/h2-4,10H,1H3
InChIKeyDODYJHZACYXKJY-UHFFFAOYSA-N
XLogP2.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.56
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 162420977
2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide
CID 68871797
2-bromo-N-methylbenzenesulfonamide
CID 850141
3-[(2-bromo-3-chlorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071531
2-bromo-3-chloro-N-(2,3-difluorophenyl)benzenesulfonamide
CID 154840283
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-3-chlorobenzenesulfonamide
CID 120707749
2-chloro-N,6-dimethylbenzenesulfonamide
CID 58436447
N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride
CID 120711063
2-bromo-1,3-dichlorobenzene;formaldehyde
CID 174574164
4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 124926790
2-tert-butyl-N-methylbenzenesulfonamide
CID 118909876
2,4-dichloro-N,3-dimethylbenzenesulfonamide
CID 50876498

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-3-chloro-N-methylbenzenesulfonamide (CID 130173119) is 2-bromo-3-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-3-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-3-chloro-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(Cl)c1Br.
What is the InChIKey of 2-bromo-3-chloro-N-methylbenzenesulfonamide?
The InChIKey is DODYJHZACYXKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c1-10-13(11,12)6-4-2-3-5(9)7(6)8/h2-4,10H,1H3.
What are the key properties of 2-bromo-3-chloro-N-methylbenzenesulfonamide?
2-bromo-3-chloro-N-methylbenzenesulfonamide has a molecular weight of 284.56 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 130173119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).