4-methyl-N-propan-2-yl-N-(2H-triazol-4-yl)benzenesulfonamide

C12H16N4O2S — CID 69483840

IUPAC4-methyl-N-propan-2-yl-N-(2H-triazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2cn[nH]n2)C(C)C)cc1
InChIInChI=1S/C12H16N4O2S/c1-9(2)16(12-8-13-15-14-12)19(17,18)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H,13,14,15)
InChIKeyFVUASIXAHZEURF-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.72
Rot. Bonds4

About 4-methyl-N-propan-2-yl-N-(2H-triazol-4-yl)benzenesulfonamide

4-methyl-N-propan-2-yl-N-(2H-triazol-4-yl)benzenesulfonamide (PubChem CID 69483840) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-N-(2H-triazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-N-(2H-triazol-4-yl)benzenesulfonamide
PubChem CID69483840
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-methyl-N-propan-2-yl-N-(2H-triazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2cn[nH]n2)C(C)C)cc1
InChIInChI=1S/C12H16N4O2S/c1-9(2)16(12-8-13-15-14-12)19(17,18)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H,13,14,15)
InChIKeyFVUASIXAHZEURF-UHFFFAOYSA-N
XLogP1.72
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-methylpropyl)benzenesulfonohydrazide
CID 174431578
N-ethynyl-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 11356829
4-methyl-N,N-bis(sulfanylmethyl)benzenesulfonamide
CID 122393288
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50891983
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 54916389
2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50892780
2-[2-fluorosulfonylethyl-(4-methylphenyl)sulfonylamino]ethanesulfonyl fluoride
CID 2829825
2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)propanoyl chloride
CID 50892781
N,4-dimethyl-N-[(2S)-4-oxopentan-2-yl]benzenesulfonamide
CID 11391555
N-butan-2-yl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 112517569
(2S)-2-[ethyl-(4-methylphenyl)sulfonylamino]propanoic acid
CID 67639025
4-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541765

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-N-(2H-triazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-propan-2-yl-N-(2H-triazol-4-yl)benzenesulfonamide (CID 69483840) is 4-methyl-N-propan-2-yl-N-(2H-triazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-propan-2-yl-N-(2H-triazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-propan-2-yl-N-(2H-triazol-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2cn[nH]n2)C(C)C)cc1.
What is the InChIKey of 4-methyl-N-propan-2-yl-N-(2H-triazol-4-yl)benzenesulfonamide?
The InChIKey is FVUASIXAHZEURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9(2)16(12-8-13-15-14-12)19(17,18)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H,13,14,15).
What are the key properties of 4-methyl-N-propan-2-yl-N-(2H-triazol-4-yl)benzenesulfonamide?
4-methyl-N-propan-2-yl-N-(2H-triazol-4-yl)benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-N-(2H-triazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 69483840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).