[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone

C23H27FN2O3S — CID 22830682

IUPAC[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C23H27FN2O3S/c24-21-8-4-7-20(17-21)23(27)25-13-15-26(16-14-25)30(28,29)22-11-9-19(10-12-22)18-5-2-1-3-6-18/h4,7-12,17-18H,1-3,5-6,13-16H2
InChIKeyPJVCMOYEJVBAFW-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.02
Rot. Bonds4

About [4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone

[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 22830682) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is [4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID22830682
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Name[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C23H27FN2O3S/c24-21-8-4-7-20(17-21)23(27)25-13-15-26(16-14-25)30(28,29)22-11-9-19(10-12-22)18-5-2-1-3-6-18/h4,7-12,17-18H,1-3,5-6,13-16H2
InChIKeyPJVCMOYEJVBAFW-UHFFFAOYSA-N
XLogP4.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 39636324
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 26558503
3-amino-1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269998
[4-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 154851904
3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 4805711
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 7944521
(4-phenylpiperidin-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 24660134
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone (CID 22830682) is [4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of [4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is PJVCMOYEJVBAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c24-21-8-4-7-20(17-21)23(27)25-13-15-26(16-14-25)30(28,29)22-11-9-19(10-12-22)18-5-2-1-3-6-18/h4,7-12,17-18H,1-3,5-6,13-16H2.
What are the key properties of [4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone?
[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 430.55 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 22830682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).