4-methyl-N-[3-methyl-5-(4-methylbenzoyl)triazol-4-yl]benzenesulfonamide

C18H18N4O3S — CID 135052056

IUPAC4-methyl-N-[3-methyl-5-(4-methylbenzoyl)triazol-4-yl]benzenesulfonamide
SMILESCc1ccc(C(=O)c2nnn(C)c2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N4O3S/c1-12-4-8-14(9-5-12)17(23)16-18(22(3)21-19-16)20-26(24,25)15-10-6-13(2)7-11-15/h4-11,20H,1-3H3
InChIKeyYRBPLHPVEVMYPP-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.46
Rot. Bonds5

About 4-methyl-N-[3-methyl-5-(4-methylbenzoyl)triazol-4-yl]benzenesulfonamide

4-methyl-N-[3-methyl-5-(4-methylbenzoyl)triazol-4-yl]benzenesulfonamide (PubChem CID 135052056) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-5-(4-methylbenzoyl)triazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-5-(4-methylbenzoyl)triazol-4-yl]benzenesulfonamide
PubChem CID135052056
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name4-methyl-N-[3-methyl-5-(4-methylbenzoyl)triazol-4-yl]benzenesulfonamide
SMILESCc1ccc(C(=O)c2nnn(C)c2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N4O3S/c1-12-4-8-14(9-5-12)17(23)16-18(22(3)21-19-16)20-26(24,25)15-10-6-13(2)7-11-15/h4-11,20H,1-3H3
InChIKeyYRBPLHPVEVMYPP-UHFFFAOYSA-N
XLogP2.46
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.46
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
N-(5-acetyl-3-ethyltriazol-4-yl)-4-methylbenzenesulfonamide
CID 135052060
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
4-methyl-N-(1-methylbenzotriazol-5-yl)benzenesulfonamide
CID 169370714
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
ethyl 5-methyl-1-[(4-methylphenyl)sulfonylamino]triazole-4-carboxylate
CID 44603089
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 100923791
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
3-iodo-4-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 169370314
(4-methylphenyl)sulfonylurea;urea
CID 160676948

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-5-(4-methylbenzoyl)triazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-methyl-5-(4-methylbenzoyl)triazol-4-yl]benzenesulfonamide (CID 135052056) is 4-methyl-N-[3-methyl-5-(4-methylbenzoyl)triazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-5-(4-methylbenzoyl)triazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-methyl-5-(4-methylbenzoyl)triazol-4-yl]benzenesulfonamide is Cc1ccc(C(=O)c2nnn(C)c2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[3-methyl-5-(4-methylbenzoyl)triazol-4-yl]benzenesulfonamide?
The InChIKey is YRBPLHPVEVMYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-12-4-8-14(9-5-12)17(23)16-18(22(3)21-19-16)20-26(24,25)15-10-6-13(2)7-11-15/h4-11,20H,1-3H3.
What are the key properties of 4-methyl-N-[3-methyl-5-(4-methylbenzoyl)triazol-4-yl]benzenesulfonamide?
4-methyl-N-[3-methyl-5-(4-methylbenzoyl)triazol-4-yl]benzenesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methyl-5-(4-methylbenzoyl)triazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 135052056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).