3-bromo-4-chloro-N-methylbenzenesulfonamide

C7H7BrClNO2S — CID 106545096

IUPAC3-bromo-4-chloro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H7BrClNO2S/c1-10-13(11,12)5-2-3-7(9)6(8)4-5/h2-4,10H,1H3
InChIKeyZWJZKCLDXZJKNW-UHFFFAOYSA-N
MW284.56 g/mol
LogP2.01
Rot. Bonds2

About 3-bromo-4-chloro-N-methylbenzenesulfonamide

3-bromo-4-chloro-N-methylbenzenesulfonamide (PubChem CID 106545096) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-methylbenzenesulfonamide
PubChem CID106545096
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name3-bromo-4-chloro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H7BrClNO2S/c1-10-13(11,12)5-2-3-7(9)6(8)4-5/h2-4,10H,1H3
InChIKeyZWJZKCLDXZJKNW-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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-methylbenzenesulfonamide (CID 106545096) is 3-bromo-4-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-methylbenzenesulfonamide?
The InChIKey is ZWJZKCLDXZJKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c1-10-13(11,12)5-2-3-7(9)6(8)4-5/h2-4,10H,1H3.
What are the key properties of 3-bromo-4-chloro-N-methylbenzenesulfonamide?
3-bromo-4-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 3-bromo-4-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 106545096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).