3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine

C17H17ClN4O2S — CID 46452501

IUPAC3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCCC1c1nnc2ccccn12
InChIInChI=1S/C17H17ClN4O2S/c1-12-13(18)6-4-8-15(12)25(23,24)22-11-5-7-14(22)17-20-19-16-9-2-3-10-21(16)17/h2-4,6,8-10,14H,5,7,11H2,1H3
InChIKeyLSCCKLQBFBGUFD-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.22
Rot. Bonds3

About 3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 46452501) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is 3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID46452501
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCCC1c1nnc2ccccn12
InChIInChI=1S/C17H17ClN4O2S/c1-12-13(18)6-4-8-15(12)25(23,24)22-11-5-7-14(22)17-20-19-16-9-2-3-10-21(16)17/h2-4,6,8-10,14H,5,7,11H2,1H3
InChIKeyLSCCKLQBFBGUFD-UHFFFAOYSA-N
XLogP3.22
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46667151
3-[(2R)-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 26541642
3-[1-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46650064
3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 24511385
3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46595834
3-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 18096917
5-[(2S)-1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 93071714
3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46445053
6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 24622191
3-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 47019510
(3-pyrrolidin-1-ylsulfonylphenyl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 26004078
5-[(2R)-1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 95116721

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 46452501) is 3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is Cc1c(Cl)cccc1S(=O)(=O)N1CCCC1c1nnc2ccccn12.
What is the InChIKey of 3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LSCCKLQBFBGUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-12-13(18)6-4-8-15(12)25(23,24)22-11-5-7-14(22)17-20-19-16-9-2-3-10-21(16)17/h2-4,6,8-10,14H,5,7,11H2,1H3.
What are the key properties of 3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 376.87 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 46452501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).