4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide

C12H16N4O2S — CID 19683354

IUPAC4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nn2cnnc2)cc1
InChIInChI=1S/C12H16N4O2S/c1-10(2)7-11-3-5-12(6-4-11)19(17,18)15-16-8-13-14-9-16/h3-6,8-10,15H,7H2,1-2H3
InChIKeyKIKSBLUYOVEPOW-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.41
Rot. Bonds5

About 4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide

4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide (PubChem CID 19683354) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide
PubChem CID19683354
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nn2cnnc2)cc1
InChIInChI=1S/C12H16N4O2S/c1-10(2)7-11-3-5-12(6-4-11)19(17,18)15-16-8-13-14-9-16/h3-6,8-10,15H,7H2,1-2H3
InChIKeyKIKSBLUYOVEPOW-UHFFFAOYSA-N
XLogP1.41
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 65033964
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 778376
4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide
CID 22774577
N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
CID 14574391
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22208862
N-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide
CID 103278267
N-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide
CID 82723408
N-[(1R)-1-cyanoethyl]-4-(2-methylpropyl)benzenesulfonamide
CID 97243583

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide (CID 19683354) is 4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)Nn2cnnc2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The InChIKey is KIKSBLUYOVEPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-10(2)7-11-3-5-12(6-4-11)19(17,18)15-16-8-13-14-9-16/h3-6,8-10,15H,7H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 19683354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).