4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide

C12H13BrN2O2S2 — CID 60675416

IUPAC4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nc(C)c(C)s2)ccc1Br
InChIInChI=1S/C12H13BrN2O2S2/c1-7-6-10(4-5-11(7)13)19(16,17)15-12-14-8(2)9(3)18-12/h4-6H,1-3H3,(H,14,15)
InChIKeyVWOLOEGUTCLWLW-UHFFFAOYSA-N
MW361.29 g/mol
LogP3.63
Rot. Bonds3

About 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide

4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide (PubChem CID 60675416) has the molecular formula C12H13BrN2O2S2 and a molecular weight of 361.29 g/mol. Its IUPAC name is 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
PubChem CID60675416
Molecular FormulaC12H13BrN2O2S2
Molecular Weight361.29 g/mol
Exact Mass359.96
IUPAC Name4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nc(C)c(C)s2)ccc1Br
InChIInChI=1S/C12H13BrN2O2S2/c1-7-6-10(4-5-11(7)13)19(16,17)15-12-14-8(2)9(3)18-12/h4-6H,1-3H3,(H,14,15)
InChIKeyVWOLOEGUTCLWLW-UHFFFAOYSA-N
XLogP3.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 106919743
5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 4730084
5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid
CID 60675390
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760475
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 61466424
3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60675322
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110675394
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110756980
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110756975
N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944585
2-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 100742356
4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
CID 60640730

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide (CID 60675416) is 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2nc(C)c(C)s2)ccc1Br.
What is the InChIKey of 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide?
The InChIKey is VWOLOEGUTCLWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S2/c1-7-6-10(4-5-11(7)13)19(16,17)15-12-14-8(2)9(3)18-12/h4-6H,1-3H3,(H,14,15).
What are the key properties of 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide?
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide has a molecular weight of 361.29 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 60675416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).