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

C12H13BrN2O2S2 — CID 63825079

IUPAC4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2cscn2)ccc1Br
InChIInChI=1S/C12H13BrN2O2S2/c1-9-6-11(2-3-12(9)13)19(16,17)15-5-4-10-7-18-8-14-10/h2-3,6-8,15H,4-5H2,1H3
InChIKeyDPIZLHGFACZTED-UHFFFAOYSA-N
MW361.29 g/mol
LogP2.74
Rot. Bonds5

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

4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 63825079) has the molecular formula C12H13BrN2O2S2 and a molecular weight of 361.29 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID63825079
Molecular FormulaC12H13BrN2O2S2
Molecular Weight361.29 g/mol
Exact Mass359.96
IUPAC Name4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2cscn2)ccc1Br
InChIInChI=1S/C12H13BrN2O2S2/c1-9-6-11(2-3-12(9)13)19(16,17)15-5-4-10-7-18-8-14-10/h2-3,6-8,15H,4-5H2,1H3
InChIKeyDPIZLHGFACZTED-UHFFFAOYSA-N
XLogP2.74
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]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

3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825962
2-bromo-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825604
3-amino-4,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63829315
4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63824991
2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825961
4-bromo-3-methyl-N-propylbenzenesulfonamide
CID 2439945
3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458302
N-[(4-bromo-3-methylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 66473626
4-bromo-3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529312
6-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 63826100
4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60640413
2-fluoro-5-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]benzenecarbothioamide
CID 63824301

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 63825079) is 4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2cscn2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is DPIZLHGFACZTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S2/c1-9-6-11(2-3-12(9)13)19(16,17)15-5-4-10-7-18-8-14-10/h2-3,6-8,15H,4-5H2,1H3.
What are the key properties of 4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 361.29 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 63825079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).