N-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide

C13H16N4O3S — CID 135052060

IUPACN-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide
SMILESCCn1nnc(C(C)=O)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H16N4O3S/c1-4-17-13(12(10(3)18)14-16-17)15-21(19,20)11-7-5-9(2)6-8-11/h5-8,15H,4H2,1-3H3
InChIKeySNIISNHWKRGHLX-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.61
Rot. Bonds5

About N-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide

N-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide (PubChem CID 135052060) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide
PubChem CID135052060
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide
SMILESCCn1nnc(C(C)=O)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H16N4O3S/c1-4-17-13(12(10(3)18)14-16-17)15-21(19,20)11-7-5-9(2)6-8-11/h5-8,15H,4H2,1-3H3
InChIKeySNIISNHWKRGHLX-UHFFFAOYSA-N
XLogP1.61
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide
CID 135052055
4-methyl-N-[3-methyl-5-(4-methylbenzoyl)triazol-4-yl]benzenesulfonamide
CID 135052056
ethyl 5-methyl-1-[(4-methylphenyl)sulfonylamino]triazole-4-carboxylate
CID 44603089
N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
CID 22209298
4-acetyl-N-(1-ethyl-7-methylpyrazolo[5,4-b]quinolin-3-yl)benzenesulfonamide
CID 4893874
N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 100923791
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 709425
(4-methylphenyl)sulfonylurea;urea
CID 160676948
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167
1-N',4-N'-bis-(4-methylphenyl)sulfonylbutanedihydrazide
CID 5153632
2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 170938721

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide (CID 135052060) is N-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide is CCn1nnc(C(C)=O)c1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide?
The InChIKey is SNIISNHWKRGHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-4-17-13(12(10(3)18)14-16-17)15-21(19,20)11-7-5-9(2)6-8-11/h5-8,15H,4H2,1-3H3.
What are the key properties of N-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide?
N-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 135052060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).