6-bromo-3-chloro-2-methylbenzenesulfonamide

C7H7BrClNO2S — CID 131415089

IUPAC6-bromo-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)ccc(Br)c1S(N)(=O)=O
InChIInChI=1S/C7H7BrClNO2S/c1-4-6(9)3-2-5(8)7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyYVOUTNYTFSWXOQ-UHFFFAOYSA-N
MW284.56 g/mol
LogP2.06
Rot. Bonds1

About 6-bromo-3-chloro-2-methylbenzenesulfonamide

6-bromo-3-chloro-2-methylbenzenesulfonamide (PubChem CID 131415089) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 6-bromo-3-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name6-bromo-3-chloro-2-methylbenzenesulfonamide
PubChem CID131415089
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name6-bromo-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)ccc(Br)c1S(N)(=O)=O
InChIInChI=1S/C7H7BrClNO2S/c1-4-6(9)3-2-5(8)7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyYVOUTNYTFSWXOQ-UHFFFAOYSA-N
XLogP2.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.56
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-3-chloro-2-methylbenzene-1-sulfonyl chloride
CID 50998046
4-Bromo-3-chloro-2-methylbenzenesulfonamide
CID 50998107
5-Bromo-3-chloro-2-methylbenzenesulfonamide
CID 131415088
2-Bromo-6-(chloromethyl)benzenesulfonamide
CID 153638882
2-Bromo-5-chloro-4-methylbenzenesulfonamide
CID 50876692
2-Bromo-5-chloro-N,4-dimethylbenzene-1-sulfonamide
CID 50876693
2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide
CID 50876697
[(2-Bromo-5-chloro-4-methylphenyl)sulfonyl]dimethylamine
CID 50876698
(Tert-butyl)[(2-bromo-5-chloro-4-methylphenyl)sulfonyl]amine
CID 50876707
3-Bromo-5-chloro-2-methylbenzene sulfonamide
CID 50998108
2-Bromo-4-chloro-6-methylbenzenesulfonamide
CID 50998110
(5-Bromo-2-chlorophenyl)methanesulfonamide
CID 71757697

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-2-methylbenzenesulfonamide?
The IUPAC name of 6-bromo-3-chloro-2-methylbenzenesulfonamide (CID 131415089) is 6-bromo-3-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for 6-bromo-3-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for 6-bromo-3-chloro-2-methylbenzenesulfonamide is Cc1c(Cl)ccc(Br)c1S(N)(=O)=O.
What is the InChIKey of 6-bromo-3-chloro-2-methylbenzenesulfonamide?
The InChIKey is YVOUTNYTFSWXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c1-4-6(9)3-2-5(8)7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 6-bromo-3-chloro-2-methylbenzenesulfonamide?
6-bromo-3-chloro-2-methylbenzenesulfonamide has a molecular weight of 284.56 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 131415089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).