5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile

C16H14ClFN4O2S — CID 133358370

IUPAC5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cn1
InChIInChI=1S/C16H14ClFN4O2S/c17-15-9-14(3-4-16(15)18)25(23,24)22-7-5-21(6-8-22)13-2-1-12(10-19)20-11-13/h1-4,9,11H,5-8H2
InChIKeyNAMSUFTWIPUQSX-UHFFFAOYSA-N
MW380.83 g/mol
LogP2.26
Rot. Bonds3

About 5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile

5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 133358370) has the molecular formula C16H14ClFN4O2S and a molecular weight of 380.83 g/mol. Its IUPAC name is 5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
PubChem CID133358370
Molecular FormulaC16H14ClFN4O2S
Molecular Weight380.83 g/mol
Exact Mass380.05
IUPAC Name5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cn1
InChIInChI=1S/C16H14ClFN4O2S/c17-15-9-14(3-4-16(15)18)25(23,24)22-7-5-21(6-8-22)13-2-1-12(10-19)20-11-13/h1-4,9,11H,5-8H2
InChIKeyNAMSUFTWIPUQSX-UHFFFAOYSA-N
XLogP2.26
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352615
5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352225
1-(3-chloro-4-fluorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 3756264
3-chloro-6-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 56584208
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 23762678
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 110295034
4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 115638462
1-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
CID 113076680
1-(1,3-benzodioxol-5-ylsulfonyl)-4-(3-chloro-4-fluorophenyl)piperazine
CID 113076985
(2R)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile
CID 9349041

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile (CID 133358370) is 5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile is N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cn1.
What is the InChIKey of 5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is NAMSUFTWIPUQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O2S/c17-15-9-14(3-4-16(15)18)25(23,24)22-7-5-21(6-8-22)13-2-1-12(10-19)20-11-13/h1-4,9,11H,5-8H2.
What are the key properties of 5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile?
5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 380.83 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 133358370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).