1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride

C17H20ClN3O3S — CID 120763835

IUPAC1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)cc1.Cl
InChIInChI=1S/C17H19N3O3S.ClH/c1-13(21)14-4-6-16(7-5-14)24(22,23)20-10-9-19-12-17(20)15-3-2-8-18-11-15;/h2-8,11,17,19H,9-10,12H2,1H3;1H
InChIKeyIOUWLJLRFNTPAF-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.04
Rot. Bonds4

About 1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride

1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride (PubChem CID 120763835) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
PubChem CID120763835
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)cc1.Cl
InChIInChI=1S/C17H19N3O3S.ClH/c1-13(21)14-4-6-16(7-5-14)24(22,23)20-10-9-19-12-17(20)15-3-2-8-18-11-15;/h2-8,11,17,19H,9-10,12H2,1H3;1H
InChIKeyIOUWLJLRFNTPAF-UHFFFAOYSA-N
XLogP2.04
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide
CID 120763731
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
1-[4-(methylsulfonylmethyl)phenyl]sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763550
3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 120763620
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
methyl 2-fluoro-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzoate;hydrochloride
CID 120764245
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
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
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride?
The IUPAC name of 1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride (CID 120763835) is 1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride is CC(=O)c1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)cc1.Cl.
What is the InChIKey of 1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride?
The InChIKey is IOUWLJLRFNTPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S.ClH/c1-13(21)14-4-6-16(7-5-14)24(22,23)20-10-9-19-12-17(20)15-3-2-8-18-11-15;/h2-8,11,17,19H,9-10,12H2,1H3;1H.
What are the key properties of 1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride?
1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride has a molecular weight of 381.89 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride is sourced from PubChem (CID 120763835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).