6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

C16H15ClN4O2S — CID 2746542

IUPAC6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc1
InChIInChI=1S/C16H15ClN4O2S/c17-14-3-1-2-4-15(14)24(22,23)21-9-7-20(8-10-21)16-6-5-13(11-18)12-19-16/h1-6,12H,7-10H2
InChIKeyWVQKAEBGGAMMDB-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.12
Rot. Bonds3

About 6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 2746542) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is 6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile
PubChem CID2746542
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC Name6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc1
InChIInChI=1S/C16H15ClN4O2S/c17-14-3-1-2-4-15(14)24(22,23)21-9-7-20(8-10-21)16-6-5-13(11-18)12-19-16/h1-6,12H,7-10H2
InChIKeyWVQKAEBGGAMMDB-UHFFFAOYSA-N
XLogP2.12
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile (CID 2746542) is 6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc1.
What is the InChIKey of 6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is WVQKAEBGGAMMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c17-14-3-1-2-4-15(14)24(22,23)21-9-7-20(8-10-21)16-6-5-13(11-18)12-19-16/h1-6,12H,7-10H2.
What are the key properties of 6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 362.84 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 2746542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).