1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine

C17H17Cl2FN2O2S — CID 3456966

IUPAC1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H17Cl2FN2O2S/c1-12-2-3-13(20)10-17(12)25(23,24)22-8-6-21(7-9-22)14-4-5-15(18)16(19)11-14/h2-5,10-11H,6-9H2,1H3
InChIKeyYJACPFJRPVITFH-UHFFFAOYSA-N
MW403.31 g/mol
LogP3.95
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine

1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine (PubChem CID 3456966) has the molecular formula C17H17Cl2FN2O2S and a molecular weight of 403.31 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine
PubChem CID3456966
Molecular FormulaC17H17Cl2FN2O2S
Molecular Weight403.31 g/mol
Exact Mass402.04
IUPAC Name1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H17Cl2FN2O2S/c1-12-2-3-13(20)10-17(12)25(23,24)22-8-6-21(7-9-22)14-4-5-15(18)16(19)11-14/h2-5,10-11H,6-9H2,1H3
InChIKeyYJACPFJRPVITFH-UHFFFAOYSA-N
XLogP3.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 991799
1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 1287876
1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2137811
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184061
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
CID 145499915
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
CID 1303338
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(3-methyl-4-pyridinyl)-1,4-diazepane
CID 131938200
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1261021
4-bromo-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 80672227
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine
CID 113079298
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
CID 16644819

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine (CID 3456966) is 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine is Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine?
The InChIKey is YJACPFJRPVITFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O2S/c1-12-2-3-13(20)10-17(12)25(23,24)22-8-6-21(7-9-22)14-4-5-15(18)16(19)11-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine?
1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine has a molecular weight of 403.31 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 3456966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).