1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine

C19H23FN2O2S — CID 46100949

IUPAC1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C19H23FN2O2S/c1-15-8-9-18(20)14-19(15)25(23,24)22-12-10-21(11-13-22)16(2)17-6-4-3-5-7-17/h3-9,14,16H,10-13H2,1-2H3
InChIKeySOVPVLQVKPKAEN-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.20
Rot. Bonds4

About 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine

1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine (PubChem CID 46100949) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine
PubChem CID46100949
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C19H23FN2O2S/c1-15-8-9-18(20)14-19(15)25(23,24)22-12-10-21(11-13-22)16(2)17-6-4-3-5-7-17/h3-9,14,16H,10-13H2,1-2H3
InChIKeySOVPVLQVKPKAEN-UHFFFAOYSA-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

Analyze 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
CID 8771509
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 39627744
N-cyclopropyl-2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 46457701
1-[(1S)-1-(3-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 51966767
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
CID 145499915
1-[1-(2,6-difluorophenyl)ethyl]-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 112840410
N,N-dimethyl-5-[4-(1-phenylethyl)piperazin-1-yl]sulfonylnaphthalen-1-amine
CID 3845177
4-bromo-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 80672227
1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
CID 8694227
1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
CID 8686758
1-[(1R)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 30493587
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine (CID 46100949) is 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine is Cc1ccc(F)cc1S(=O)(=O)N1CCN(C(C)c2ccccc2)CC1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine?
The InChIKey is SOVPVLQVKPKAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-15-8-9-18(20)14-19(15)25(23,24)22-12-10-21(11-13-22)16(2)17-6-4-3-5-7-17/h3-9,14,16H,10-13H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine?
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine 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-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine is sourced from PubChem (CID 46100949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).