1-(4-ethylcyclohexa-1,3-dien-1-yl)sulfonyl-4-(4-fluorophenyl)piperazine

C18H23FN2O2S — CID 3127203

IUPAC1-(4-ethylcyclohexa-1,3-dien-1-yl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESCCC1=CC=C(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C18H23FN2O2S/c1-2-15-3-9-18(10-4-15)24(22,23)21-13-11-20(12-14-21)17-7-5-16(19)6-8-17/h3,5-9H,2,4,10-14H2,1H3
InChIKeyRLDDVKLHFUMYRN-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.29
Rot. Bonds4

About 1-(4-ethylcyclohexa-1,3-dien-1-yl)sulfonyl-4-(4-fluorophenyl)piperazine

1-(4-ethylcyclohexa-1,3-dien-1-yl)sulfonyl-4-(4-fluorophenyl)piperazine (PubChem CID 3127203) has the molecular formula C18H23FN2O2S and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(4-ethylcyclohexa-1,3-dien-1-yl)sulfonyl-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(4-ethylcyclohexa-1,3-dien-1-yl)sulfonyl-4-(4-fluorophenyl)piperazine
PubChem CID3127203
Molecular FormulaC18H23FN2O2S
Molecular Weight350.46 g/mol
Exact Mass350.15
IUPAC Name1-(4-ethylcyclohexa-1,3-dien-1-yl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESCCC1=CC=C(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C18H23FN2O2S/c1-2-15-3-9-18(10-4-15)24(22,23)21-13-11-20(12-14-21)17-7-5-16(19)6-8-17/h3,5-9H,2,4,10-14H2,1H3
InChIKeyRLDDVKLHFUMYRN-UHFFFAOYSA-N
XLogP3.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(4-fluorophenyl)piperazine
CID 39911950
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
1-(4-ethylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113075945
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-(4-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine
CID 102691515
1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine
CID 53075855
1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1068502
5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 35141963
1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
CID 2995650
2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline
CID 129451972
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184061
2-ethoxy-5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 171134179

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexa-1,3-dien-1-yl)sulfonyl-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(4-ethylcyclohexa-1,3-dien-1-yl)sulfonyl-4-(4-fluorophenyl)piperazine (CID 3127203) is 1-(4-ethylcyclohexa-1,3-dien-1-yl)sulfonyl-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(4-ethylcyclohexa-1,3-dien-1-yl)sulfonyl-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(4-ethylcyclohexa-1,3-dien-1-yl)sulfonyl-4-(4-fluorophenyl)piperazine is CCC1=CC=C(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexa-1,3-dien-1-yl)sulfonyl-4-(4-fluorophenyl)piperazine?
The InChIKey is RLDDVKLHFUMYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2S/c1-2-15-3-9-18(10-4-15)24(22,23)21-13-11-20(12-14-21)17-7-5-16(19)6-8-17/h3,5-9H,2,4,10-14H2,1H3.
What are the key properties of 1-(4-ethylcyclohexa-1,3-dien-1-yl)sulfonyl-4-(4-fluorophenyl)piperazine?
1-(4-ethylcyclohexa-1,3-dien-1-yl)sulfonyl-4-(4-fluorophenyl)piperazine has a molecular weight of 350.46 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexa-1,3-dien-1-yl)sulfonyl-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 3127203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).