N-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide

C16H18BrNO2S — CID 3871398

IUPACN-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(C(C)C)cc2Br)c1
InChIInChI=1S/C16H18BrNO2S/c1-11(2)13-7-8-16(15(17)10-13)18-21(19,20)14-6-4-5-12(3)9-14/h4-11,18H,1-3H3
InChIKeyKWGBZPJKKNVIGU-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.68
Rot. Bonds4

About N-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide

N-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide (PubChem CID 3871398) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is N-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide
PubChem CID3871398
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC NameN-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(C(C)C)cc2Br)c1
InChIInChI=1S/C16H18BrNO2S/c1-11(2)13-7-8-16(15(17)10-13)18-21(19,20)14-6-4-5-12(3)9-14/h4-11,18H,1-3H3
InChIKeyKWGBZPJKKNVIGU-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 N-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide 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-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 3797956
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-(2-bromo-4-methylphenyl)-3-nitrobenzenesulfonamide
CID 2975037
3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 26979454
N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 43508584
3-[(2-bromo-4-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 29287537
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
N-(2-bromo-4-propan-2-ylphenyl)isoquinoline-5-sulfonamide
CID 3573164
N-(2-bromo-4-methylphenyl)-3-propanoylbenzenesulfonamide
CID 112838604
2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide
CID 57266876
N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 47310957

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide (CID 3871398) is N-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(C(C)C)cc2Br)c1.
What is the InChIKey of N-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is KWGBZPJKKNVIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-11(2)13-7-8-16(15(17)10-13)18-21(19,20)14-6-4-5-12(3)9-14/h4-11,18H,1-3H3.
What are the key properties of N-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide?
N-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide 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 N-(2-bromo-4-propan-2-ylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 3871398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).