4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide

C13H14BrNO2S2 — CID 62844268

IUPAC4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)c2ccsc2)ccc1Br
InChIInChI=1S/C13H14BrNO2S2/c1-9-7-12(3-4-13(9)14)19(16,17)15-10(2)11-5-6-18-8-11/h3-8,10,15H,1-2H3
InChIKeyNSTXCSHZONSFPC-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.86
Rot. Bonds4

About 4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide

4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 62844268) has the molecular formula C13H14BrNO2S2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID62844268
Molecular FormulaC13H14BrNO2S2
Molecular Weight360.30 g/mol
Exact Mass358.96
IUPAC Name4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)c2ccsc2)ccc1Br
InChIInChI=1S/C13H14BrNO2S2/c1-9-7-12(3-4-13(9)14)19(16,17)15-10(2)11-5-6-18-8-11/h3-8,10,15H,1-2H3
InChIKeyNSTXCSHZONSFPC-UHFFFAOYSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)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

4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844441
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950
2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 62841892
4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844597
4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 55130085
4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60639517
4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 107327103
2-chloro-4-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 107090063
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 62844793
5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62841485
3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 116791823
5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 79962257

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide (CID 62844268) is 4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)c2ccsc2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is NSTXCSHZONSFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2S2/c1-9-7-12(3-4-13(9)14)19(16,17)15-10(2)11-5-6-18-8-11/h3-8,10,15H,1-2H3.
What are the key properties of 4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 360.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 62844268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).