4-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

C16H13BrN2O2S2 — CID 1247826

IUPAC4-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)cs1
InChIInChI=1S/C16H13BrN2O2S2/c1-11-18-16(10-22-11)12-3-2-4-14(9-12)19-23(20,21)15-7-5-13(17)6-8-15/h2-10,19H,1H3
InChIKeySCJADFLSJSQJSG-UHFFFAOYSA-N
MW409.33 g/mol
LogP4.68
Rot. Bonds4

About 4-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

4-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 1247826) has the molecular formula C16H13BrN2O2S2 and a molecular weight of 409.33 g/mol. Its IUPAC name is 4-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID1247826
Molecular FormulaC16H13BrN2O2S2
Molecular Weight409.33 g/mol
Exact Mass407.96
IUPAC Name4-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCc1nc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)cs1
InChIInChI=1S/C16H13BrN2O2S2/c1-11-18-16(10-22-11)12-3-2-4-14(9-12)19-23(20,21)15-7-5-13(17)6-8-15/h2-10,19H,1H3
InChIKeySCJADFLSJSQJSG-UHFFFAOYSA-N
XLogP4.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.33
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 1247826) is 4-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)cs1.
What is the InChIKey of 4-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is SCJADFLSJSQJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S2/c1-11-18-16(10-22-11)12-3-2-4-14(9-12)19-23(20,21)15-7-5-13(17)6-8-15/h2-10,19H,1H3.
What are the key properties of 4-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
4-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 409.33 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1247826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).