4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile

C19H17N5O2S — CID 133310521

IUPAC4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile
SMILESN#Cc1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)c2ccccc2n1
InChIInChI=1S/C19H17N5O2S/c20-13-15-12-19(17-5-1-2-6-18(17)22-15)23-8-10-24(11-9-23)27(25,26)16-4-3-7-21-14-16/h1-7,12,14H,8-11H2
InChIKeyAWDIBFPMMOKDIM-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.01
Rot. Bonds3

About 4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile

4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile (PubChem CID 133310521) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile
PubChem CID133310521
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile
SMILESN#Cc1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)c2ccccc2n1
InChIInChI=1S/C19H17N5O2S/c20-13-15-12-19(17-5-1-2-6-18(17)22-15)23-8-10-24(11-9-23)27(25,26)16-4-3-7-21-14-16/h1-7,12,14H,8-11H2
InChIKeyAWDIBFPMMOKDIM-UHFFFAOYSA-N
XLogP2.01
TPSA90.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
4-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]quinoline-2-carbonitrile
CID 133387064
4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(trifluoromethyl)quinoline
CID 2822622
morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone
CID 55638328
4-[4-(4-chlorobenzoyl)piperazin-1-yl]quinoline-2-carbonitrile
CID 133316552
4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile
CID 166333218
1-benzylsulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 55627851
[2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
CID 55614291
2-[4-(benzenesulfonyl)piperazin-1-yl]-5-nitrobenzonitrile
CID 4314377
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
4-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]quinoline-2-carbonitrile
CID 133306230
2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-benzoxazole
CID 37067366

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile?
The IUPAC name of 4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile (CID 133310521) is 4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile.
What is the SMILES notation for 4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile?
The canonical SMILES for 4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile is N#Cc1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)c2ccccc2n1.
What is the InChIKey of 4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile?
The InChIKey is AWDIBFPMMOKDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c20-13-15-12-19(17-5-1-2-6-18(17)22-15)23-8-10-24(11-9-23)27(25,26)16-4-3-7-21-14-16/h1-7,12,14H,8-11H2.
What are the key properties of 4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile?
4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile has a molecular weight of 379.45 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile is sourced from PubChem (CID 133310521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).