1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine

C18H20ClFN2O2S — CID 8747278

IUPAC1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
SMILESC[C@H](c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20ClFN2O2S/c1-14(17-4-2-3-5-18(17)19)21-10-12-22(13-11-21)25(23,24)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3/t14-/m1/s1
InChIKeyHILWHHVFSYNXIQ-CQSZACIVSA-N
MW382.89 g/mol
LogP3.55
Rot. Bonds4

About 1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine

1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine (PubChem CID 8747278) has the molecular formula C18H20ClFN2O2S and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
PubChem CID8747278
Molecular FormulaC18H20ClFN2O2S
Molecular Weight382.89 g/mol
Exact Mass382.09
IUPAC Name1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
SMILESC[C@H](c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20ClFN2O2S/c1-14(17-4-2-3-5-18(17)19)21-10-12-22(13-11-21)25(23,24)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3/t14-/m1/s1
InChIKeyHILWHHVFSYNXIQ-CQSZACIVSA-N
XLogP3.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 39983067
1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine
CID 9443316
1-(4-fluorophenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151796
1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 51966767
(2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 8512523
2-[(1R)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 92753675
2-[(1R)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethyl]-3H-quinazolin-4-one
CID 135968881
(2S)-N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512483
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
(2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493165
methyl 5-[(1R)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylate
CID 51939364
1-(4-fluorophenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine
CID 3756255

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine (CID 8747278) is 1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine is C[C@H](c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine?
The InChIKey is HILWHHVFSYNXIQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20ClFN2O2S/c1-14(17-4-2-3-5-18(17)19)21-10-12-22(13-11-21)25(23,24)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine?
1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine has a molecular weight of 382.89 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 8747278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).