5-[2-[(4,4-difluorocyclohexyl)amino]-5-methylsulfonylphenyl]-1,3-dimethylpyridin-2-one

C20H24F2N2O3S — CID 118021387

IUPAC5-[2-[(4,4-difluorocyclohexyl)amino]-5-methylsulfonylphenyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc(S(C)(=O)=O)ccc2NC2CCC(F)(F)CC2)cn(C)c1=O
InChIInChI=1S/C20H24F2N2O3S/c1-13-10-14(12-24(2)19(13)25)17-11-16(28(3,26)27)4-5-18(17)23-15-6-8-20(21,22)9-7-15/h4-5,10-12,15,23H,6-9H2,1-3H3
InChIKeyBCQOTGYCYRGRBL-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.75
Rot. Bonds4

About 5-[2-[(4,4-difluorocyclohexyl)amino]-5-methylsulfonylphenyl]-1,3-dimethylpyridin-2-one

5-[2-[(4,4-difluorocyclohexyl)amino]-5-methylsulfonylphenyl]-1,3-dimethylpyridin-2-one (PubChem CID 118021387) has the molecular formula C20H24F2N2O3S and a molecular weight of 410.49 g/mol. Its IUPAC name is 5-[2-[(4,4-difluorocyclohexyl)amino]-5-methylsulfonylphenyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[2-[(4,4-difluorocyclohexyl)amino]-5-methylsulfonylphenyl]-1,3-dimethylpyridin-2-one
PubChem CID118021387
Molecular FormulaC20H24F2N2O3S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Name5-[2-[(4,4-difluorocyclohexyl)amino]-5-methylsulfonylphenyl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc(S(C)(=O)=O)ccc2NC2CCC(F)(F)CC2)cn(C)c1=O
InChIInChI=1S/C20H24F2N2O3S/c1-13-10-14(12-24(2)19(13)25)17-11-16(28(3,26)27)4-5-18(17)23-15-6-8-20(21,22)9-7-15/h4-5,10-12,15,23H,6-9H2,1-3H3
InChIKeyBCQOTGYCYRGRBL-UHFFFAOYSA-N
XLogP3.75
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[(4,4-difluorocyclohexyl)amino]-5-methylsulfonylphenyl]-1,3-dimethylpyridin-2-one with MolForge

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Related Compounds

N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 16800466
N-cyclohexyl-4-methyl-2-oxo-1,2-dihydro-6-quinolinesulfonamide
CID 16824690
6-methyl-N-[4-(methylsulfonyl)benzyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
CID 11619625
N-(3,4-difluorophenyl)-3-[(1-propionyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propanamide
CID 3236119
N-(2-methylphenyl)-3-[(1-propanoyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]propanamide
CID 20855801
2-oxo-N-(3-phenylpropyl)-1,2-dihydroquinoline-6-sulfonamide
CID 22548541
US10023592, Example 397
CID 118021624
US10023592, Example 396
CID 118021696
US10023592, Example 196
CID 118022104
US10023592, Example 398
CID 118022169
US10023592, Example 195
CID 118022511
US10941160, Example 397
CID 123417069

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4,4-difluorocyclohexyl)amino]-5-methylsulfonylphenyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[2-[(4,4-difluorocyclohexyl)amino]-5-methylsulfonylphenyl]-1,3-dimethylpyridin-2-one (CID 118021387) is 5-[2-[(4,4-difluorocyclohexyl)amino]-5-methylsulfonylphenyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[2-[(4,4-difluorocyclohexyl)amino]-5-methylsulfonylphenyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[2-[(4,4-difluorocyclohexyl)amino]-5-methylsulfonylphenyl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2cc(S(C)(=O)=O)ccc2NC2CCC(F)(F)CC2)cn(C)c1=O.
What is the InChIKey of 5-[2-[(4,4-difluorocyclohexyl)amino]-5-methylsulfonylphenyl]-1,3-dimethylpyridin-2-one?
The InChIKey is BCQOTGYCYRGRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3S/c1-13-10-14(12-24(2)19(13)25)17-11-16(28(3,26)27)4-5-18(17)23-15-6-8-20(21,22)9-7-15/h4-5,10-12,15,23H,6-9H2,1-3H3.
What are the key properties of 5-[2-[(4,4-difluorocyclohexyl)amino]-5-methylsulfonylphenyl]-1,3-dimethylpyridin-2-one?
5-[2-[(4,4-difluorocyclohexyl)amino]-5-methylsulfonylphenyl]-1,3-dimethylpyridin-2-one has a molecular weight of 410.49 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4,4-difluorocyclohexyl)amino]-5-methylsulfonylphenyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 118021387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).