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

C14H15N3O2S2 — CID 79185569

IUPAC4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccc(CC#N)cc2)sc1C
InChIInChI=1S/C14H15N3O2S2/c1-3-13-10(2)20-14(16-13)17-21(18,19)12-6-4-11(5-7-12)8-9-15/h4-7H,3,8H2,1-2H3,(H,16,17)
InChIKeyIWWUFPYTJQGXSD-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.88
Rot. Bonds5

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

4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 79185569) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID79185569
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccc(CC#N)cc2)sc1C
InChIInChI=1S/C14H15N3O2S2/c1-3-13-10(2)20-14(16-13)17-21(18,19)12-6-4-11(5-7-12)8-9-15/h4-7H,3,8H2,1-2H3,(H,16,17)
InChIKeyIWWUFPYTJQGXSD-UHFFFAOYSA-N
XLogP2.88
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 61477638
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61068278
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 61477562
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61475746
sodium N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamate
CID 174221531
4-(cyanomethyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 79186466
5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 61473108
3-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106019052
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61471934
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-4-sulfonamide
CID 61356371
2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87545585
5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 61477600

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 79185569) is 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is CCc1nc(NS(=O)(=O)c2ccc(CC#N)cc2)sc1C.
What is the InChIKey of 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IWWUFPYTJQGXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-3-13-10(2)20-14(16-13)17-21(18,19)12-6-4-11(5-7-12)8-9-15/h4-7H,3,8H2,1-2H3,(H,16,17).
What are the key properties of 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 321.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 79185569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).