4-acetyl-2-bromo-N-methylbenzenesulfonamide

C9H10BrNO3S — CID 157311179

IUPAC4-acetyl-2-bromo-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(C)=O)cc1Br
InChIInChI=1S/C9H10BrNO3S/c1-6(12)7-3-4-9(8(10)5-7)15(13,14)11-2/h3-5,11H,1-2H3
InChIKeyWEDDIQJDYBFDNZ-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.56
Rot. Bonds3

About 4-acetyl-2-bromo-N-methylbenzenesulfonamide

4-acetyl-2-bromo-N-methylbenzenesulfonamide (PubChem CID 157311179) has the molecular formula C9H10BrNO3S and a molecular weight of 292.15 g/mol. Its IUPAC name is 4-acetyl-2-bromo-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-2-bromo-N-methylbenzenesulfonamide
PubChem CID157311179
Molecular FormulaC9H10BrNO3S
Molecular Weight292.15 g/mol
Exact Mass290.96
IUPAC Name4-acetyl-2-bromo-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(C)=O)cc1Br
InChIInChI=1S/C9H10BrNO3S/c1-6(12)7-3-4-9(8(10)5-7)15(13,14)11-2/h3-5,11H,1-2H3
InChIKeyWEDDIQJDYBFDNZ-UHFFFAOYSA-N
XLogP1.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-2-hydroxy-N-methylbenzenesulfonamide
CID 154481040
N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 35506281
3-bromo-4-(dimethylaminosulfamoyl)benzoic acid
CID 83004570
2-bromo-N-methylbenzenesulfonamide
CID 850141
4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide
CID 58436455
3-bromo-4-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83003597
3-bromo-4-[(2-methoxy-2-oxoethyl)sulfamoyl]benzoic acid
CID 28540514
3-bromo-4-[(3,4-dimethylphenyl)sulfamoyl]benzoic acid
CID 78850990
N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 7510419
3-bromo-4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]benzoic acid
CID 62518923
3-bromo-4-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 78851015
4-acetyl-2-propylbenzenesulfonamide
CID 73012694

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-bromo-N-methylbenzenesulfonamide?
The IUPAC name of 4-acetyl-2-bromo-N-methylbenzenesulfonamide (CID 157311179) is 4-acetyl-2-bromo-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-2-bromo-N-methylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-2-bromo-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C(C)=O)cc1Br.
What is the InChIKey of 4-acetyl-2-bromo-N-methylbenzenesulfonamide?
The InChIKey is WEDDIQJDYBFDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3S/c1-6(12)7-3-4-9(8(10)5-7)15(13,14)11-2/h3-5,11H,1-2H3.
What are the key properties of 4-acetyl-2-bromo-N-methylbenzenesulfonamide?
4-acetyl-2-bromo-N-methylbenzenesulfonamide has a molecular weight of 292.15 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-bromo-N-methylbenzenesulfonamide is sourced from PubChem (CID 157311179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).