6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile

C16H13ClFN3O2S — CID 67495628

IUPAC6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC(S(=O)(=O)c3ccc(F)cc3Cl)C2)n1
InChIInChI=1S/C16H13ClFN3O2S/c17-14-8-11(18)4-5-15(14)24(22,23)13-6-7-21(10-13)16-3-1-2-12(9-19)20-16/h1-5,8,13H,6-7,10H2
InChIKeyWDAPNXUZRFGREU-UHFFFAOYSA-N
MW365.82 g/mol
LogP2.80
Rot. Bonds3

About 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile

6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile (PubChem CID 67495628) has the molecular formula C16H13ClFN3O2S and a molecular weight of 365.82 g/mol. Its IUPAC name is 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile
PubChem CID67495628
Molecular FormulaC16H13ClFN3O2S
Molecular Weight365.82 g/mol
Exact Mass365.04
IUPAC Name6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC(S(=O)(=O)c3ccc(F)cc3Cl)C2)n1
InChIInChI=1S/C16H13ClFN3O2S/c17-14-8-11(18)4-5-15(14)24(22,23)13-6-7-21(10-13)16-3-1-2-12(9-19)20-16/h1-5,8,13H,6-7,10H2
InChIKeyWDAPNXUZRFGREU-UHFFFAOYSA-N
XLogP2.80
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine-2-carbonitrile
CID 57335919
6-[(3S)-3-[2-chloro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile
CID 57334296
6-[(3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile
CID 57334443
(S)-2-(3-(2-chloro-4-fluorophenylsulfonyl)pyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 57334444
6-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile
CID 57334745
6-[(3S)-3-(2-chlorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile
CID 57335198
6-[(3S)-3-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-chlorophenyl]sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile
CID 67496244
2-[3-(2-Chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrimidine-4-carbonitrile
CID 67495348
4-[(S)-3-(2-Chloro-4-fluoro-benzenesulfonyl)-pyrrolidin-1-yl]-2-methylsulfanyl-6-trifluoromethyl-pyrimidine
CID 67495600
4-[3-(2-Chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 67495603
6-[3-[2-(Trifluoromethyl)phenyl]sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile
CID 67496830
4-[3-(2-Chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine-2-carbonitrile
CID 67497858

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile (CID 67495628) is 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CCC(S(=O)(=O)c3ccc(F)cc3Cl)C2)n1.
What is the InChIKey of 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is WDAPNXUZRFGREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2S/c17-14-8-11(18)4-5-15(14)24(22,23)13-6-7-21(10-13)16-3-1-2-12(9-19)20-16/h1-5,8,13H,6-7,10H2.
What are the key properties of 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile?
6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 365.82 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 67495628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).