N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide

C13H11N5O2S — CID 60732618

IUPACN-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cncn2)nc1)c1ccccc1
InChIInChI=1S/C13H11N5O2S/c19-21(20,12-4-2-1-3-5-12)17-11-6-7-13(15-8-11)18-10-14-9-16-18/h1-10,17H
InChIKeyLKZQEONBQFEBDD-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.46
Rot. Bonds4

About N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide

N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 60732618) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID60732618
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC NameN-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cncn2)nc1)c1ccccc1
InChIInChI=1S/C13H11N5O2S/c19-21(20,12-4-2-1-3-5-12)17-11-6-7-13(15-8-11)18-10-14-9-16-18/h1-10,17H
InChIKeyLKZQEONBQFEBDD-UHFFFAOYSA-N
XLogP1.46
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide
CID 55568578
4-bromo-3-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide
CID 25331299
1-(benzenesulfonyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopentane-1-carboxamide
CID 30765886
3-bromo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-sulfonamide
CID 61062582
4-chloro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499347
N-[(2,6-dichlorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691581
2-methoxy-4-nitro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide
CID 55895321
4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 25344012
N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113016628
(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 95145415
4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499352
N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691536

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide (CID 60732618) is N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-n2cncn2)nc1)c1ccccc1.
What is the InChIKey of N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is LKZQEONBQFEBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c19-21(20,12-4-2-1-3-5-12)17-11-6-7-13(15-8-11)18-10-14-9-16-18/h1-10,17H.
What are the key properties of N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide?
N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 301.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 60732618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).