3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide

C15H14BrNO3S — CID 26979454

IUPAC3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C15H14BrNO3S/c1-10-6-7-15(14(16)8-10)17-21(19,20)13-5-3-4-12(9-13)11(2)18/h3-9,17H,1-2H3
InChIKeyKSTBBSQYBCLMRR-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.76
Rot. Bonds4

About 3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide

3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide (PubChem CID 26979454) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is 3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide
PubChem CID26979454
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C15H14BrNO3S/c1-10-6-7-15(14(16)8-10)17-21(19,20)13-5-3-4-12(9-13)11(2)18/h3-9,17H,1-2H3
InChIKeyKSTBBSQYBCLMRR-UHFFFAOYSA-N
XLogP3.76
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-3-propanoylbenzenesulfonamide
CID 112838604
3-[(2-bromo-4-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 29287537
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498995
N-(2-bromo-4-methylphenyl)-3-nitrobenzenesulfonamide
CID 2975037
3-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 46635900
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 26500853
3-acetyl-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 8504652
3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid
CID 103768285
N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide
CID 108515070
3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide
CID 51089499
3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide
CID 102671942
N-[(Z)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 6274738

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide (CID 26979454) is 3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2Br)c1.
What is the InChIKey of 3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide?
The InChIKey is KSTBBSQYBCLMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-10-6-7-15(14(16)8-10)17-21(19,20)13-5-3-4-12(9-13)11(2)18/h3-9,17H,1-2H3.
What are the key properties of 3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide?
3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide has a molecular weight of 368.25 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 26979454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).