4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C12H11N3O2S2 — CID 106919709

IUPAC4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(C#N)c(C)c2)s1
InChIInChI=1S/C12H11N3O2S2/c1-8-5-11(4-3-10(8)6-13)19(16,17)15-12-14-7-9(2)18-12/h3-5,7H,1-2H3,(H,14,15)
InChIKeyBXHAVKQKKLLTBL-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.43
Rot. Bonds3

About 4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 106919709) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID106919709
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC Name4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(C#N)c(C)c2)s1
InChIInChI=1S/C12H11N3O2S2/c1-8-5-11(4-3-10(8)6-13)19(16,17)15-12-14-7-9(2)18-12/h3-5,7H,1-2H3,(H,14,15)
InChIKeyBXHAVKQKKLLTBL-UHFFFAOYSA-N
XLogP2.43
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 106919743
3-cyano-N-(5-methyl-1,3-thiazol-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide
CID 71717541
4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide
CID 106919755
N-(5-methyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35523329
4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 106919695
N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
CID 106918913
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 54922138
4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-nitrobenzenesulfonamide
CID 115421813
6-amino-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62145030
4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707
4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide
CID 29052014

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 106919709) is 4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1cnc(NS(=O)(=O)c2ccc(C#N)c(C)c2)s1.
What is the InChIKey of 4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is BXHAVKQKKLLTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c1-8-5-11(4-3-10(8)6-13)19(16,17)15-12-14-7-9(2)18-12/h3-5,7H,1-2H3,(H,14,15).
What are the key properties of 4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 293.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106919709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).