1-[3-(4-ethyl-3-fluorophenyl)phenyl]sulfonyl-4-methylpiperazine

C19H23FN2O2S — CID 130252631

IUPAC1-[3-(4-ethyl-3-fluorophenyl)phenyl]sulfonyl-4-methylpiperazine
SMILESCCc1ccc(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1F
InChIInChI=1S/C19H23FN2O2S/c1-3-15-7-8-17(14-19(15)20)16-5-4-6-18(13-16)25(23,24)22-11-9-21(2)10-12-22/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyWPJDDJJLBJQKMW-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.99
Rot. Bonds4

About 1-[3-(4-ethyl-3-fluorophenyl)phenyl]sulfonyl-4-methylpiperazine

1-[3-(4-ethyl-3-fluorophenyl)phenyl]sulfonyl-4-methylpiperazine (PubChem CID 130252631) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[3-(4-ethyl-3-fluorophenyl)phenyl]sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(4-ethyl-3-fluorophenyl)phenyl]sulfonyl-4-methylpiperazine
PubChem CID130252631
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name1-[3-(4-ethyl-3-fluorophenyl)phenyl]sulfonyl-4-methylpiperazine
SMILESCCc1ccc(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1F
InChIInChI=1S/C19H23FN2O2S/c1-3-15-7-8-17(14-19(15)20)16-5-4-6-18(13-16)25(23,24)22-11-9-21(2)10-12-22/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyWPJDDJJLBJQKMW-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine
CID 28716722
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
tert-butyl (1R,3S,4S)-3-[[(1S)-1-cyano-2-[2-fluoro-4-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]ethyl]carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 90430317
1-methyl-4-[4-(3-methylsulfonylphenyl)sulfonylpiperazin-1-yl]sulfonylpiperazine
CID 55621350
N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 43506710
N-(2,6-diethylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968900
2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012947
1-(benzenesulfonyl)-4-(4-ethyl-3-fluorophenyl)pyrazole
CID 130252961
N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 31288599
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-3-fluorophenyl)phenyl]sulfonyl-4-methylpiperazine?
The IUPAC name of 1-[3-(4-ethyl-3-fluorophenyl)phenyl]sulfonyl-4-methylpiperazine (CID 130252631) is 1-[3-(4-ethyl-3-fluorophenyl)phenyl]sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-[3-(4-ethyl-3-fluorophenyl)phenyl]sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-[3-(4-ethyl-3-fluorophenyl)phenyl]sulfonyl-4-methylpiperazine is CCc1ccc(-c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1F.
What is the InChIKey of 1-[3-(4-ethyl-3-fluorophenyl)phenyl]sulfonyl-4-methylpiperazine?
The InChIKey is WPJDDJJLBJQKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-3-15-7-8-17(14-19(15)20)16-5-4-6-18(13-16)25(23,24)22-11-9-21(2)10-12-22/h4-8,13-14H,3,9-12H2,1-2H3.
What are the key properties of 1-[3-(4-ethyl-3-fluorophenyl)phenyl]sulfonyl-4-methylpiperazine?
1-[3-(4-ethyl-3-fluorophenyl)phenyl]sulfonyl-4-methylpiperazine has a molecular weight of 362.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-3-fluorophenyl)phenyl]sulfonyl-4-methylpiperazine is sourced from PubChem (CID 130252631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).