N-pyridin-3-yl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

C13H11N5O2S — CID 68886303

IUPACN-pyridin-3-yl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1cccnc1)c1ncn[nH]1
InChIInChI=1S/C13H11N5O2S/c19-21(20,12-6-2-1-3-7-12)18(13-15-10-16-17-13)11-5-4-8-14-9-11/h1-10H,(H,15,16,17)
InChIKeyIMKPRWQMMMZQOW-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.73
Rot. Bonds4

About N-pyridin-3-yl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

N-pyridin-3-yl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 68886303) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-pyridin-3-yl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-pyridin-3-yl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID68886303
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC NameN-pyridin-3-yl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1cccnc1)c1ncn[nH]1
InChIInChI=1S/C13H11N5O2S/c19-21(20,12-6-2-1-3-7-12)18(13-15-10-16-17-13)11-5-4-8-14-9-11/h1-10H,(H,15,16,17)
InChIKeyIMKPRWQMMMZQOW-UHFFFAOYSA-N
XLogP1.73
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of N-pyridin-3-yl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 68886303) is N-pyridin-3-yl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-pyridin-3-yl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-pyridin-3-yl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(c1cccnc1)c1ncn[nH]1.
What is the InChIKey of N-pyridin-3-yl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is IMKPRWQMMMZQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c19-21(20,12-6-2-1-3-7-12)18(13-15-10-16-17-13)11-5-4-8-14-9-11/h1-10H,(H,15,16,17).
What are the key properties of N-pyridin-3-yl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
N-pyridin-3-yl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 301.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 68886303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).