5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide

C16H18BrNO2S — CID 60661360

IUPAC5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H18BrNO2S/c1-11(2)13-5-8-15(9-6-13)18-21(19,20)16-10-14(17)7-4-12(16)3/h4-11,18H,1-3H3
InChIKeyPFYKOZIARPAVPE-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.68
Rot. Bonds4

About 5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide

5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 60661360) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
PubChem CID60661360
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C16H18BrNO2S/c1-11(2)13-5-8-15(9-6-13)18-21(19,20)16-10-14(17)7-4-12(16)3/h4-11,18H,1-3H3
InChIKeyPFYKOZIARPAVPE-UHFFFAOYSA-N
XLogP4.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 6456729
5-bromo-2-ethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 7938973
4-[(2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 50876036
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711
2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 22773866
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide
CID 25342391
5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62813296
1-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(4-propan-2-ylphenyl)thiourea
CID 4025966
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(4-propan-2-ylphenyl)benzamide
CID 4268232
N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide
CID 60792229
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 83029794

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide (CID 60661360) is 5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is PFYKOZIARPAVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-11(2)13-5-8-15(9-6-13)18-21(19,20)16-10-14(17)7-4-12(16)3/h4-11,18H,1-3H3.
What are the key properties of 5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide?
5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 368.30 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 60661360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).