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

C14H13N5O2S — CID 162670399

IUPAC4-methyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2n[nH]c(-c3ccncc3)n2)cc1
InChIInChI=1S/C14H13N5O2S/c1-10-2-4-12(5-3-10)22(20,21)19-14-16-13(17-18-14)11-6-8-15-9-7-11/h2-9H,1H3,(H2,16,17,18,19)
InChIKeyUEVIEGLUPJPGTQ-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.98
Rot. Bonds4

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

4-methyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 162670399) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 4-methyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID162670399
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name4-methyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2n[nH]c(-c3ccncc3)n2)cc1
InChIInChI=1S/C14H13N5O2S/c1-10-2-4-12(5-3-10)22(20,21)19-14-16-13(17-18-14)11-6-8-15-9-7-11/h2-9H,1H3,(H2,16,17,18,19)
InChIKeyUEVIEGLUPJPGTQ-UHFFFAOYSA-N
XLogP1.98
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 76685194
2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 2501092
5-Methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 22226668
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-tert-butylpyridine-3-sulfonamide
CID 44557921
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propylpyridine-3-sulfonamide
CID 44621440
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N,N-diethylpyridine-3-sulfonamide
CID 44621442
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-methylpyridine-3-sulfonamide
CID 44621447
5-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide
CID 44621456
8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine
CID 57502376
4-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzenesulfonamide
CID 58169162
N-[2-(4-methylpyridin-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 90286007
3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzenesulfonamide
CID 137639159

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenesulfonamide (CID 162670399) is 4-methyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2n[nH]c(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-methyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is UEVIEGLUPJPGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-10-2-4-12(5-3-10)22(20,21)19-14-16-13(17-18-14)11-6-8-15-9-7-11/h2-9H,1H3,(H2,16,17,18,19).
What are the key properties of 4-methyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
4-methyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 315.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 162670399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).