1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine

C16H17ClFN3O2S — CID 120764128

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCNCC2c2cccnc2)c(Cl)cc1F
InChIInChI=1S/C16H17ClFN3O2S/c1-11-7-16(13(17)8-14(11)18)24(22,23)21-6-5-20-10-15(21)12-3-2-4-19-9-12/h2-4,7-9,15,20H,5-6,10H2,1H3
InChIKeyMEPLIHOKDQNCLZ-UHFFFAOYSA-N
MW369.85 g/mol
LogP2.52
Rot. Bonds3

About 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine

1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine (PubChem CID 120764128) has the molecular formula C16H17ClFN3O2S and a molecular weight of 369.85 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
PubChem CID120764128
Molecular FormulaC16H17ClFN3O2S
Molecular Weight369.85 g/mol
Exact Mass369.07
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCNCC2c2cccnc2)c(Cl)cc1F
InChIInChI=1S/C16H17ClFN3O2S/c1-11-7-16(13(17)8-14(11)18)24(22,23)21-6-5-20-10-15(21)12-3-2-4-19-9-12/h2-4,7-9,15,20H,5-6,10H2,1H3
InChIKeyMEPLIHOKDQNCLZ-UHFFFAOYSA-N
XLogP2.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763694
1-(4,5-dimethyl-2-nitrophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763942
1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763688
1-(5-bromo-2-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763612
5-chloro-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 120763663
8-methyl-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylquinoline
CID 120764072
1-(4-ethoxy-2-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764104
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894952
1-(2-bromo-3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764349
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine (CID 120764128) is 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine is Cc1cc(S(=O)(=O)N2CCNCC2c2cccnc2)c(Cl)cc1F.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The InChIKey is MEPLIHOKDQNCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O2S/c1-11-7-16(13(17)8-14(11)18)24(22,23)21-6-5-20-10-15(21)12-3-2-4-19-9-12/h2-4,7-9,15,20H,5-6,10H2,1H3.
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine?
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine has a molecular weight of 369.85 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120764128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).