4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one

C18H15ClF2O3S — CID 10430137

IUPAC4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one
SMILESO=C1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H15ClF2O3S/c19-12-1-4-15(5-2-12)25(23,24)18(9-7-14(22)8-10-18)16-11-13(20)3-6-17(16)21/h1-6,11H,7-10H2
InChIKeyMABHMOXKRMWJGK-UHFFFAOYSA-N
MW384.83 g/mol
LogP4.43
Rot. Bonds3

About 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one

4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one (PubChem CID 10430137) has the molecular formula C18H15ClF2O3S and a molecular weight of 384.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one
PubChem CID10430137
Molecular FormulaC18H15ClF2O3S
Molecular Weight384.83 g/mol
Exact Mass384.04
IUPAC Name4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one
SMILESO=C1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H15ClF2O3S/c19-12-1-4-15(5-2-12)25(23,24)18(9-7-14(22)8-10-18)16-11-13(20)3-6-17(16)21/h1-6,11H,7-10H2
InChIKeyMABHMOXKRMWJGK-UHFFFAOYSA-N
XLogP4.43
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Mk-0752
CID 9803433
2-(1-(4-Chlorophenylsulfonyl)cyclohexyl)-1,4-difluorobenzene
CID 9929326
2-[4-(4-Chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]acetic acid
CID 16681308
1-{1-[(4-Chlorophenyl)sulfonyl]cyclohexyl}-2-fluorobenzene
CID 44400790
5-(4-Chlorophenyl)-2-[(phenylsulfonyl)methyl]-1,3-cyclohexanedione
CID 1486430
(E)-3-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)prop-2-en-1-one
CID 5716697
2-(3-Chloro-4-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-cyclopent-2-enone
CID 10618802
2-(4-Chloro-3-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-cyclopent-2-enone
CID 10642557
cis-Methyl 4-(3-(4-chlorophenylsulfonyl)-3-(2,5-difluorophenyl)cyclohexyl)butanoate
CID 16037832
1-{1-[(4-Chlorophenyl)sulfonyl]cyclohexyl}-3-fluorobenzene
CID 44400933
trans-1-(3-Allyl-1-(2,5-difluorophenyl)cyclohexylsulfonyl)-4-chlorobenzene
CID 44413653
cis-3-(3-(4-Chlorophenylsulfonyl)-3-(2,5-difluorophenyl)cyclohexyl)propanoic acid
CID 44413670

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one (CID 10430137) is 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one is O=C1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one?
The InChIKey is MABHMOXKRMWJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2O3S/c19-12-1-4-15(5-2-12)25(23,24)18(9-7-14(22)8-10-18)16-11-13(20)3-6-17(16)21/h1-6,11H,7-10H2.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one?
4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one has a molecular weight of 384.83 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one is sourced from PubChem (CID 10430137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).