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

C11H11BrN2O2S2 — CID 23603415

IUPAC4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H11BrN2O2S2/c1-8-14-10(7-17-8)6-13-18(15,16)11-4-2-9(12)3-5-11/h2-5,7,13H,6H2,1H3
InChIKeyCJEPNSFKDNTTTR-UHFFFAOYSA-N
MW347.26 g/mol
LogP2.69
Rot. Bonds4

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

4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 23603415) has the molecular formula C11H11BrN2O2S2 and a molecular weight of 347.26 g/mol. Its IUPAC name is 4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID23603415
Molecular FormulaC11H11BrN2O2S2
Molecular Weight347.26 g/mol
Exact Mass345.94
IUPAC Name4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H11BrN2O2S2/c1-8-14-10(7-17-8)6-13-18(15,16)11-4-2-9(12)3-5-11/h2-5,7,13H,6H2,1H3
InChIKeyCJEPNSFKDNTTTR-UHFFFAOYSA-N
XLogP2.69
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Ebrotidine
CID 65869
5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 3237364
2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 5310200
4-{[(4-Bromophenyl)sulfanyl]methyl}-2-methyl-1,3-thiazole
CID 4436164
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 23603418
2,5-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1-sulfonamide
CID 3240550
3-Fluoro-N-[(2-methyl-1,3-thiazol-4-YL)methyl]benzene-1-sulfonamide
CID 3236819
N-((2-methylthiazol-4-yl)methyl)benzenesulfonamide
CID 23020749
ebrotidine S-oxide
CID 148374
Ebrotidine S,S-dioxide
CID 148376
2,4-difluoro-N-((2-methylthiazol-4-yl)methyl)benzenesulfonamide
CID 166611165

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 23603415) is 4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is Cc1nc(CNS(=O)(=O)c2ccc(Br)cc2)cs1.
What is the InChIKey of 4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is CJEPNSFKDNTTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S2/c1-8-14-10(7-17-8)6-13-18(15,16)11-4-2-9(12)3-5-11/h2-5,7,13H,6H2,1H3.
What are the key properties of 4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 347.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 23603415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).