[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone

C17H23ClN2O3S — CID 2729567

IUPAC[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O3S/c18-15-6-8-16(9-7-15)24(22,23)20-12-10-19(11-13-20)17(21)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2
InChIKeyFKNPWTWQNQQYMR-UHFFFAOYSA-N
MW370.90 g/mol
LogP2.75
Rot. Bonds3

About [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone (PubChem CID 2729567) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone
PubChem CID2729567
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O3S/c18-15-6-8-16(9-7-15)24(22,23)20-12-10-19(11-13-20)17(21)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2
InChIKeyFKNPWTWQNQQYMR-UHFFFAOYSA-N
XLogP2.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexyl(4-(3,5-dichlorophenylsulfonyl)piperazin-1-yl)methanone
CID 24944972
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-phenylpropan-1-one
CID 24945480
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-3-(4-(trifluoromethyl)phenyl)propan-1-one
CID 24945636
(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide
CID 71455079
4-chloro-N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 804119
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 8933910
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 3684814
2-(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiperidin-2-yl)cyclopropyl)-1-(piperidin-1-yl)ethanone
CID 11546950
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-phenylethanone
CID 24945317
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-methyl-2-phenylpropan-1-one
CID 24945559
Cyclohexanecarboxylic acid [1-(4-chloro-benzenesulfonyl)-piperidin-4-yl]-amide
CID 1241283
[1-(4-Chlorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 2930578

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone (CID 2729567) is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone?
The InChIKey is FKNPWTWQNQQYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3S/c18-15-6-8-16(9-7-15)24(22,23)20-12-10-19(11-13-20)17(21)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone?
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone has a molecular weight of 370.90 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 2729567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).