2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile

C16H15FN4O2S — CID 120764062

IUPAC2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile
SMILESN#Cc1cc(S(=O)(=O)N2CCNCC2c2cccnc2)ccc1F
InChIInChI=1S/C16H15FN4O2S/c17-15-4-3-14(8-13(15)9-18)24(22,23)21-7-6-20-11-16(21)12-2-1-5-19-10-12/h1-5,8,10,16,20H,6-7,11H2
InChIKeySZHCRACWNDGIMM-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.43
Rot. Bonds3

About 2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile

2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile (PubChem CID 120764062) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile
PubChem CID120764062
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC Name2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile
SMILESN#Cc1cc(S(=O)(=O)N2CCNCC2c2cccnc2)ccc1F
InChIInChI=1S/C16H15FN4O2S/c17-15-4-3-14(8-13(15)9-18)24(22,23)21-7-6-20-11-16(21)12-2-1-5-19-10-12/h1-5,8,10,16,20H,6-7,11H2
InChIKeySZHCRACWNDGIMM-UHFFFAOYSA-N
XLogP1.43
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine
CID 120876710
methyl 2-fluoro-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzoate;hydrochloride
CID 120764245
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
CID 120763604
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764101
2-fluoro-5-(2-methylpiperazin-1-yl)sulfonylbenzonitrile;hydrochloride
CID 119969888
1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
CID 120763835
3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 120763620

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile?
The IUPAC name of 2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile (CID 120764062) is 2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile.
What is the SMILES notation for 2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile?
The canonical SMILES for 2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile is N#Cc1cc(S(=O)(=O)N2CCNCC2c2cccnc2)ccc1F.
What is the InChIKey of 2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile?
The InChIKey is SZHCRACWNDGIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c17-15-4-3-14(8-13(15)9-18)24(22,23)21-7-6-20-11-16(21)12-2-1-5-19-10-12/h1-5,8,10,16,20H,6-7,11H2.
What are the key properties of 2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile?
2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile has a molecular weight of 346.39 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile is sourced from PubChem (CID 120764062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).