N-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide

C19H20N4O3S — CID 135052055

IUPACN-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide
SMILESCCCn1nnc(C(=O)c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20N4O3S/c1-3-13-23-19(21-27(25,26)16-11-9-14(2)10-12-16)17(20-22-23)18(24)15-7-5-4-6-8-15/h4-12,21H,3,13H2,1-2H3
InChIKeyXCGBBCDFEZZKPT-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.03
Rot. Bonds7

About N-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide

N-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide (PubChem CID 135052055) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide
PubChem CID135052055
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide
SMILESCCCn1nnc(C(=O)c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20N4O3S/c1-3-13-23-19(21-27(25,26)16-11-9-14(2)10-12-16)17(20-22-23)18(24)15-7-5-4-6-8-15/h4-12,21H,3,13H2,1-2H3
InChIKeyXCGBBCDFEZZKPT-UHFFFAOYSA-N
XLogP3.03
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide (CID 135052055) is N-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide is CCCn1nnc(C(=O)c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide?
The InChIKey is XCGBBCDFEZZKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-3-13-23-19(21-27(25,26)16-11-9-14(2)10-12-16)17(20-22-23)18(24)15-7-5-4-6-8-15/h4-12,21H,3,13H2,1-2H3.
What are the key properties of N-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide?
N-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 135052055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).