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

C11H11BrN2O2S2 — CID 110723564

IUPAC4-bromo-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(N(C)S(=O)(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C11H11BrN2O2S2/c1-8-7-17-11(13-8)14(2)18(15,16)10-5-3-9(12)4-6-10/h3-7H,1-2H3
InChIKeyWLOBQEGPNFCJAF-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.04
Rot. Bonds3

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

4-bromo-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 110723564) has the molecular formula C11H11BrN2O2S2 and a molecular weight of 347.26 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID110723564
Molecular FormulaC11H11BrN2O2S2
Molecular Weight347.26 g/mol
Exact Mass345.94
IUPAC Name4-bromo-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(N(C)S(=O)(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C11H11BrN2O2S2/c1-8-7-17-11(13-8)14(2)18(15,16)10-5-3-9(12)4-6-10/h3-7H,1-2H3
InChIKeyWLOBQEGPNFCJAF-UHFFFAOYSA-N
XLogP3.04
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)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-ethoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 110723612
N,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 110723615
N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
CID 13394525
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346
4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001773
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-methyl-4-propylbenzenesulfonamide
CID 11546482
4-bromo-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide
CID 20704088
4-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83023481
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 51315975
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 110723564) is 4-bromo-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1csc(N(C)S(=O)(=O)c2ccc(Br)cc2)n1.
What is the InChIKey of 4-bromo-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is WLOBQEGPNFCJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S2/c1-8-7-17-11(13-8)14(2)18(15,16)10-5-3-9(12)4-6-10/h3-7H,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-bromo-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 347.26 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 110723564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).