2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine

C14H13N5O2S — CID 970935

IUPAC2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine
SMILESCc1ccc(S(=O)(=O)n2nc(-c3cccnc3)nc2N)cc1
InChIInChI=1S/C14H13N5O2S/c1-10-4-6-12(7-5-10)22(20,21)19-14(15)17-13(18-19)11-3-2-8-16-9-11/h2-9H,1H3,(H2,15,17,18)
InChIKeyQWCDWDJVRISRJY-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.47
Rot. Bonds3

About 2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine

2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine (PubChem CID 970935) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine
PubChem CID970935
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine
SMILESCc1ccc(S(=O)(=O)n2nc(-c3cccnc3)nc2N)cc1
InChIInChI=1S/C14H13N5O2S/c1-10-4-6-12(7-5-10)22(20,21)19-14(15)17-13(18-19)11-3-2-8-16-9-11/h2-9H,1H3,(H2,15,17,18)
InChIKeyQWCDWDJVRISRJY-UHFFFAOYSA-N
XLogP1.47
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 76685194
4-Methyl-N-pyridin-2-YL-benzenesulfonamide
CID 402911
3-cyano-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 9508066
2-[5-(2-Fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 12991487
2-[5-(4-Fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 12991491
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-6-yl)-N-tert-butylpyridine-3-sulfonamide
CID 42623223
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-benzylpyridine-3-sulfonamide
CID 42623224
5-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-isopropylpyridine-3-sulfonamide
CID 42623869
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-propan-2-ylpyridine-3-sulfonamide
CID 44621441

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine (CID 970935) is 2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine is Cc1ccc(S(=O)(=O)n2nc(-c3cccnc3)nc2N)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine?
The InChIKey is QWCDWDJVRISRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-10-4-6-12(7-5-10)22(20,21)19-14(15)17-13(18-19)11-3-2-8-16-9-11/h2-9H,1H3,(H2,15,17,18).
What are the key properties of 2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine?
2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine has a molecular weight of 315.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-5-pyridin-3-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 970935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).