1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide

C22H25F2NO3S — CID 167684328

IUPAC1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide
SMILESCc1cc(-c2cccc(F)c2)cc(C(=O)CNS(=O)(=O)CC2CCCCC2)c1F
InChIInChI=1S/C22H25F2NO3S/c1-15-10-18(17-8-5-9-19(23)11-17)12-20(22(15)24)21(26)13-25-29(27,28)14-16-6-3-2-4-7-16/h5,8-12,16,25H,2-4,6-7,13-14H2,1H3
InChIKeyGOLWVSQVLRDTMI-UHFFFAOYSA-N
MW421.51 g/mol
LogP4.62
Rot. Bonds7

About 1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide

1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide (PubChem CID 167684328) has the molecular formula C22H25F2NO3S and a molecular weight of 421.51 g/mol. Its IUPAC name is 1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide
PubChem CID167684328
Molecular FormulaC22H25F2NO3S
Molecular Weight421.51 g/mol
Exact Mass421.15
IUPAC Name1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide
SMILESCc1cc(-c2cccc(F)c2)cc(C(=O)CNS(=O)(=O)CC2CCCCC2)c1F
InChIInChI=1S/C22H25F2NO3S/c1-15-10-18(17-8-5-9-19(23)11-17)12-20(22(15)24)21(26)13-25-29(27,28)14-16-6-3-2-4-7-16/h5,8-12,16,25H,2-4,6-7,13-14H2,1H3
InChIKeyGOLWVSQVLRDTMI-UHFFFAOYSA-N
XLogP4.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide (CID 167684328) is 1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide is Cc1cc(-c2cccc(F)c2)cc(C(=O)CNS(=O)(=O)CC2CCCCC2)c1F.
What is the InChIKey of 1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide?
The InChIKey is GOLWVSQVLRDTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2NO3S/c1-15-10-18(17-8-5-9-19(23)11-17)12-20(22(15)24)21(26)13-25-29(27,28)14-16-6-3-2-4-7-16/h5,8-12,16,25H,2-4,6-7,13-14H2,1H3.
What are the key properties of 1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide?
1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide has a molecular weight of 421.51 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 167684328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).