1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide

C14H17N5O3S — CID 167985818

IUPAC1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(C(=O)c2ncn(-c3ccccc3)n2)C1
InChIInChI=1S/C14H17N5O3S/c15-23(21,22)12-7-4-8-18(9-12)14(20)13-16-10-19(17-13)11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H2,15,21,22)
InChIKeyFUZBUARXZYBIBH-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.16
Rot. Bonds3

About 1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide

1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide (PubChem CID 167985818) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide
PubChem CID167985818
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(C(=O)c2ncn(-c3ccccc3)n2)C1
InChIInChI=1S/C14H17N5O3S/c15-23(21,22)12-7-4-8-18(9-12)14(20)13-16-10-19(17-13)11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H2,15,21,22)
InChIKeyFUZBUARXZYBIBH-UHFFFAOYSA-N
XLogP0.16
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide?
The IUPAC name of 1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide (CID 167985818) is 1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide.
What is the SMILES notation for 1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide?
The canonical SMILES for 1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide is NS(=O)(=O)C1CCCN(C(=O)c2ncn(-c3ccccc3)n2)C1.
What is the InChIKey of 1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide?
The InChIKey is FUZBUARXZYBIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c15-23(21,22)12-7-4-8-18(9-12)14(20)13-16-10-19(17-13)11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H2,15,21,22).
What are the key properties of 1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide?
1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide has a molecular weight of 335.39 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide is sourced from PubChem (CID 167985818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).