cyclohexyl-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone

C18H25FN2O3S — CID 5203427

IUPACcyclohexyl-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)c1ccc(N2CCN(C(=O)C3CCCCC3)CC2)c(F)c1
InChIInChI=1S/C18H25FN2O3S/c1-25(23,24)15-7-8-17(16(19)13-15)20-9-11-21(12-10-20)18(22)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3
InChIKeyRRYVHLWPSHXJHB-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.46
Rot. Bonds3

About cyclohexyl-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone

cyclohexyl-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone (PubChem CID 5203427) has the molecular formula C18H25FN2O3S and a molecular weight of 368.47 g/mol. Its IUPAC name is cyclohexyl-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone
PubChem CID5203427
Molecular FormulaC18H25FN2O3S
Molecular Weight368.47 g/mol
Exact Mass368.16
IUPAC Namecyclohexyl-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)c1ccc(N2CCN(C(=O)C3CCCCC3)CC2)c(F)c1
InChIInChI=1S/C18H25FN2O3S/c1-25(23,24)15-7-8-17(16(19)13-15)20-9-11-21(12-10-20)18(22)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3
InChIKeyRRYVHLWPSHXJHB-UHFFFAOYSA-N
XLogP2.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 1151669
N-[[4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-2-thiophenesulfonamide
CID 3640175
1-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3-phenyl-1,5-dihydro-pyrrol-2-one
CID 10001441
1-(2-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3-phenyl-1,5-dihydro-pyrrol-2-one
CID 10319221
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(4-methylsulfonylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 25133836
3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-1-phenyl-1,5-dihydro-pyrrol-2-one
CID 44293785
3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-1-phenyl-1,5-dihydro-pyrrol-2-one
CID 44293798
3-(4-Fluoro-phenyl)-1-(2-fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-1,5-dihydro-pyrrol-2-one
CID 44294003
trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[2,2-dimethyl-4-(4-methylsulfonylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 70281040
4-(4-acetylpiperazin-1-yl)-N-benzyl-N-(2-methylpropyl)benzenesulfonamide
CID 90200433
N-[4-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 1151697

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone (CID 5203427) is cyclohexyl-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone is CS(=O)(=O)c1ccc(N2CCN(C(=O)C3CCCCC3)CC2)c(F)c1.
What is the InChIKey of cyclohexyl-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone?
The InChIKey is RRYVHLWPSHXJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3S/c1-25(23,24)15-7-8-17(16(19)13-15)20-9-11-21(12-10-20)18(22)14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3.
What are the key properties of cyclohexyl-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone has a molecular weight of 368.47 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 5203427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).