2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine

C14H11ClN4O2S — CID 141342601

IUPAC2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-c2nncn2-c2ccccc2Cl)nc1
InChIInChI=1S/C14H11ClN4O2S/c1-22(20,21)10-6-7-12(16-8-10)14-18-17-9-19(14)13-5-3-2-4-11(13)15/h2-9H,1H3
InChIKeyPBKJNTJWFWIEAJ-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.39
Rot. Bonds3

About 2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine

2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine (PubChem CID 141342601) has the molecular formula C14H11ClN4O2S and a molecular weight of 334.79 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine
PubChem CID141342601
Molecular FormulaC14H11ClN4O2S
Molecular Weight334.79 g/mol
Exact Mass334.03
IUPAC Name2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1ccc(-c2nncn2-c2ccccc2Cl)nc1
InChIInChI=1S/C14H11ClN4O2S/c1-22(20,21)10-6-7-12(16-8-10)14-18-17-9-19(14)13-5-3-2-4-11(13)15/h2-9H,1H3
InChIKeyPBKJNTJWFWIEAJ-UHFFFAOYSA-N
XLogP2.39
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-chlorophenyl)-5-ethenyl-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine
CID 141342613
4-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]pyrimidine;propane
CID 142387829
3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2,3-difluoroprop-2-enoyl chloride
CID 123975611
2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole
CID 57377649
4-[5-[2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 67960135
4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3-oxazol-2-yl]benzonitrile
CID 142613960
4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 57377545
CID 87174460
CID 87174460
6-(2-chlorophenyl)pyridine-3-sulfonyl chloride
CID 82307697
4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine
CID 134086884
1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102825783
2-[1-(4-methylsulfonylphenyl)pyrrol-2-yl]pyridine
CID 21221511

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine?
The IUPAC name of 2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine (CID 141342601) is 2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine?
The canonical SMILES for 2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine is CS(=O)(=O)c1ccc(-c2nncn2-c2ccccc2Cl)nc1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine?
The InChIKey is PBKJNTJWFWIEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2S/c1-22(20,21)10-6-7-12(16-8-10)14-18-17-9-19(14)13-5-3-2-4-11(13)15/h2-9H,1H3.
What are the key properties of 2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine?
2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine has a molecular weight of 334.79 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine is sourced from PubChem (CID 141342601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).