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

C19H23FN2O2S — CID 39627744

IUPAC1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H23FN2O2S/c1-16-7-8-18(20)15-19(16)25(23,24)22-13-11-21(12-14-22)10-9-17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3
InChIKeyBYGDRGWDSACSOU-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.68
Rot. Bonds5

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

1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine (PubChem CID 39627744) 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-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
PubChem CID39627744
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H23FN2O2S/c1-16-7-8-18(20)15-19(16)25(23,24)22-13-11-21(12-14-22)10-9-17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3
InChIKeyBYGDRGWDSACSOU-UHFFFAOYSA-N
XLogP2.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]sulfonylbenzoic acid
CID 45314761
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(1-phenylethyl)piperazine
CID 46100949
1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 3754471
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 112823091
1-benzyl-4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazine
CID 6499746
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
1-[2-(4-fluorophenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 110290651
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
CID 145499915
1-(4-fluoro-2-methylphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazine
CID 110410093
2-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetic acid
CID 11625610
4-bromo-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 80672227

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine (CID 39627744) is 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine is Cc1ccc(F)cc1S(=O)(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine?
The InChIKey is BYGDRGWDSACSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-16-7-8-18(20)15-19(16)25(23,24)22-13-11-21(12-14-22)10-9-17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine?
1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenylethyl)piperazine has a molecular weight of 362.47 g/mol, XLogP of 2.68, 5 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-(2-phenylethyl)piperazine is sourced from PubChem (CID 39627744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).