cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone

C17H22F2N2O3S — CID 9370793

IUPACcyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H22F2N2O3S/c18-14-6-7-15(19)16(12-14)25(23,24)21-10-8-20(9-11-21)17(22)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2
InChIKeyLICCFDKVHLUPAG-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.38
Rot. Bonds3

About cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone

cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 9370793) has the molecular formula C17H22F2N2O3S and a molecular weight of 372.44 g/mol. Its IUPAC name is cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID9370793
Molecular FormulaC17H22F2N2O3S
Molecular Weight372.44 g/mol
Exact Mass372.13
IUPAC Namecyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H22F2N2O3S/c18-14-6-7-15(19)16(12-14)25(23,24)21-10-8-20(9-11-21)17(22)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2
InChIKeyLICCFDKVHLUPAG-UHFFFAOYSA-N
XLogP2.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-cyclohex-3-en-1-yl]-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 40818302
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 55790018
cyclobutyl-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818774
tert-butyl 4-[1-(2,5-difluorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 46511637
N-[(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 41356873
cyclohexyl-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 31667720
(3-aminopiperidin-1-yl)-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone;hydrochloride
CID 119381535
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55558546
1-[1-(2,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanone
CID 63846761
cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8924226
cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110364822
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 41275092

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 9370793) is cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is LICCFDKVHLUPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3S/c18-14-6-7-15(19)16(12-14)25(23,24)21-10-8-20(9-11-21)17(22)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2.
What are the key properties of cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone?
cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 372.44 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 9370793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).