1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine

C19H23FN2O2S — CID 51966767

IUPAC1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C19H23FN2O2S/c1-15-6-8-19(9-7-15)25(23,24)22-12-10-21(11-13-22)16(2)17-4-3-5-18(20)14-17/h3-9,14,16H,10-13H2,1-2H3/t16-/m0/s1
InChIKeyLURDUONMBUCSMT-INIZCTEOSA-N
MW362.47 g/mol
LogP3.20
Rot. Bonds4

About 1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine

1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 51966767) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID51966767
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C19H23FN2O2S/c1-15-6-8-19(9-7-15)25(23,24)22-12-10-21(11-13-22)16(2)17-4-3-5-18(20)14-17/h3-9,14,16H,10-13H2,1-2H3/t16-/m0/s1
InChIKeyLURDUONMBUCSMT-INIZCTEOSA-N
XLogP3.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazine
CID 95760565
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine
CID 46100949
1-[(1R)-1-(2-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 8747278
1-(3,4-dimethylphenyl)sulfonyl-4-[(1S)-1-(3-nitrophenyl)ethyl]piperazine
CID 8691340
3-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 55989267
1,3-bis-(4-methylphenyl)sulfonyl-5-[(1R)-1-phenylethyl]-1,3,5-triazinane
CID 155931567
1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377890
1-(2,4-dimethylphenyl)sulfonyl-4-[1-(3-nitrophenyl)ethyl]piperazine
CID 24679993
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
1-(3-chloro-4-methylphenyl)sulfonyl-4-[1-(3,4-dimethylphenyl)ethyl]piperazine
CID 3226741
1-[(1R)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 30493587
(2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493165

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine (CID 51966767) is 1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of 1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is LURDUONMBUCSMT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-15-6-8-19(9-7-15)25(23,24)22-12-10-21(11-13-22)16(2)17-4-3-5-18(20)14-17/h3-9,14,16H,10-13H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine?
1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 362.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 51966767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).