3-pyridin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzenesulfonamide

C15H15N5O2S — CID 171916138

IUPAC3-pyridin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1cnnc1)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C15H15N5O2S/c21-23(22,19-8-9-20-11-17-18-12-20)15-3-1-2-14(10-15)13-4-6-16-7-5-13/h1-7,10-12,19H,8-9H2
InChIKeyAMDKDZREYRAJKK-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.32
Rot. Bonds6

About 3-pyridin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzenesulfonamide

3-pyridin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 171916138) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-pyridin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-pyridin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzenesulfonamide
PubChem CID171916138
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC Name3-pyridin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1cnnc1)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C15H15N5O2S/c21-23(22,19-8-9-20-11-17-18-12-20)15-3-1-2-14(10-15)13-4-6-16-7-5-13/h1-7,10-12,19H,8-9H2
InChIKeyAMDKDZREYRAJKK-UHFFFAOYSA-N
XLogP1.32
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-pyridin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzenesulfonamide (CID 171916138) is 3-pyridin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-pyridin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-pyridin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCn1cnnc1)c1cccc(-c2ccncc2)c1.
What is the InChIKey of 3-pyridin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is AMDKDZREYRAJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c21-23(22,19-8-9-20-11-17-18-12-20)15-3-1-2-14(10-15)13-4-6-16-7-5-13/h1-7,10-12,19H,8-9H2.
What are the key properties of 3-pyridin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzenesulfonamide?
3-pyridin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 171916138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).