4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine

C17H18ClFN2O2S — CID 110418724

IUPAC4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O2S/c1-20-10-11-21(12-16(20)13-6-8-14(19)9-7-13)24(22,23)17-5-3-2-4-15(17)18/h2-9,16H,10-12H2,1H3
InChIKeyUXAOMOUAQGCLNM-UHFFFAOYSA-N
MW368.86 g/mol
LogP3.16
Rot. Bonds3

About 4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine

4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine (PubChem CID 110418724) has the molecular formula C17H18ClFN2O2S and a molecular weight of 368.86 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine
PubChem CID110418724
Molecular FormulaC17H18ClFN2O2S
Molecular Weight368.86 g/mol
Exact Mass368.08
IUPAC Name4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O2S/c1-20-10-11-21(12-16(20)13-6-8-14(19)9-7-13)24(22,23)17-5-3-2-4-15(17)18/h2-9,16H,10-12H2,1H3
InChIKeyUXAOMOUAQGCLNM-UHFFFAOYSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-(benzenesulfonyl)-2-(4-fluorophenyl)-1-methylpiperazine
CID 94915318
4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 53189132
(2R)-4-(4-fluorophenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 129418750
4-(3-chloro-4-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine
CID 110602947
(2R)-2-(4-fluorophenyl)-1-methyl-4-(trifluoromethylsulfonyl)piperazine
CID 145285160
2-(4-fluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazine
CID 110418700
2-(4-fluorophenyl)-4-(2-methoxyethylsulfonyl)-1-methylpiperazine
CID 110617346
(3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine
CID 99903355
5-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110602954
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
CID 9239681
1-methyl-4-methylsulfonyl-2-phenylpiperazine
CID 112511935
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methyl-2-phenylpiperazine
CID 110418562

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine?
The IUPAC name of 4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine (CID 110418724) is 4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine.
What is the SMILES notation for 4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine?
The canonical SMILES for 4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine is CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1c1ccc(F)cc1.
What is the InChIKey of 4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine?
The InChIKey is UXAOMOUAQGCLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2S/c1-20-10-11-21(12-16(20)13-6-8-14(19)9-7-13)24(22,23)17-5-3-2-4-15(17)18/h2-9,16H,10-12H2,1H3.
What are the key properties of 4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine?
4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine has a molecular weight of 368.86 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1-methylpiperazine is sourced from PubChem (CID 110418724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).