3-bromo-2-chloro-6-methylbenzenesulfonamide

C7H7BrClNO2S — CID 131538709

IUPAC3-bromo-2-chloro-6-methylbenzenesulfonamide
SMILESCc1ccc(Br)c(Cl)c1S(N)(=O)=O
InChIInChI=1S/C7H7BrClNO2S/c1-4-2-3-5(8)6(9)7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyLYMAXZNEUDUKQB-UHFFFAOYSA-N
MW284.56 g/mol
LogP2.06
Rot. Bonds1

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

3-bromo-2-chloro-6-methylbenzenesulfonamide (PubChem CID 131538709) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 3-bromo-2-chloro-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2-chloro-6-methylbenzenesulfonamide
PubChem CID131538709
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name3-bromo-2-chloro-6-methylbenzenesulfonamide
SMILESCc1ccc(Br)c(Cl)c1S(N)(=O)=O
InChIInChI=1S/C7H7BrClNO2S/c1-4-2-3-5(8)6(9)7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyLYMAXZNEUDUKQB-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

5-Bromo-4-chloro-2-methylbenzene-1-sulfonyl chloride
CID 89310806
5-Bromo-4-chloro-2-methylbenzene-1-sulfonamide
CID 125462136
3-Bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide
CID 153410014
3-Bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide
CID 153410025
5-Bromo-4-chloro-2-methylbenzene-1-sulfonyl fluoride
CID 165459222
5-Bromo-3-chloro-2-methylbenzenesulfonamide
CID 131415088
5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide
CID 146486633
3-Bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 153409995
3-Bromo-2-chloro-6-phenylbenzenesulfonamide
CID 153410000
3-Bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide
CID 153410005
3-Bromo-2-chloro-4-methylbenzenesulfonyl iodide
CID 154405109
4-Bromo-2-chloro-6-methylbenzenesulfonamide
CID 50998104

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-6-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-2-chloro-6-methylbenzenesulfonamide (CID 131538709) is 3-bromo-2-chloro-6-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-2-chloro-6-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-2-chloro-6-methylbenzenesulfonamide is Cc1ccc(Br)c(Cl)c1S(N)(=O)=O.
What is the InChIKey of 3-bromo-2-chloro-6-methylbenzenesulfonamide?
The InChIKey is LYMAXZNEUDUKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c1-4-2-3-5(8)6(9)7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 3-bromo-2-chloro-6-methylbenzenesulfonamide?
3-bromo-2-chloro-6-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 3-bromo-2-chloro-6-methylbenzenesulfonamide is sourced from PubChem (CID 131538709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).