2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide

C19H27F4N3O3S — CID 178021439

IUPAC2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide
SMILESCC(CCC(C)(F)F)CC1CCC(F)(F)CC1C(=O)Nc1ccnc(S(N)(=O)=O)c1
InChIInChI=1S/C19H27F4N3O3S/c1-12(3-6-18(2,20)21)9-13-4-7-19(22,23)11-15(13)17(27)26-14-5-8-25-16(10-14)30(24,28)29/h5,8,10,12-13,15H,3-4,6-7,9,11H2,1-2H3,(H2,24,28,29)(H,25,26,27)
InChIKeyWLHZMKOEGQOSPP-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.18
Rot. Bonds8

About 2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide

2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 178021439) has the molecular formula C19H27F4N3O3S and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide
PubChem CID178021439
Molecular FormulaC19H27F4N3O3S
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC Name2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide
SMILESCC(CCC(C)(F)F)CC1CCC(F)(F)CC1C(=O)Nc1ccnc(S(N)(=O)=O)c1
InChIInChI=1S/C19H27F4N3O3S/c1-12(3-6-18(2,20)21)9-13-4-7-19(22,23)11-15(13)17(27)26-14-5-8-25-16(10-14)30(24,28)29/h5,8,10,12-13,15H,3-4,6-7,9,11H2,1-2H3,(H2,24,28,29)(H,25,26,27)
InChIKeyWLHZMKOEGQOSPP-UHFFFAOYSA-N
XLogP4.18
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

(2R)-5,5-difluoro-2-(2-methylphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide
CID 177192871
3-cyclopropyl-1-[(4,4-difluorocyclohexyl)methyl]-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167334433
1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide
CID 177192959
3-(1,1-difluoroethyl)-4-methyl-1-(spiro[2.3]hexan-6-ylmethyl)-N-(2-sulfamoyl-4-pyridinyl)pyrazole-5-carboxamide
CID 171772180
cis-(1R,2S)-N-(2-aminosulfanyl-4-pyridinyl)-5,5-difluoro-2-(oxan-4-yl)cyclohexane-1-carboxamide
CID 178021502
5-chloro-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146576273
(1R)-N-(2-aminosulfanyl-4-pyridinyl)-5,5-difluoro-2-[(1R,3R)-3-methylcyclohexyl]cyclohexane-1-carboxamide
CID 178021291
cis-(1R,2S)-N-(2-aminosulfanyl-4-pyridinyl)-2-(4,4-difluoro-3-methylcyclohexyl)-5,5-difluorocyclohexane-1-carboxamide
CID 178021144
methyl 4-[[2-(4,4-difluorocyclohexyl)-5,5-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxylate
CID 178021079
1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-(2-sulfamoyl-4-pyridinyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171772175
4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-3-(1,1-difluoroethyl)-N-(2-methylsulfonyl-4-pyridinyl)pyrazole-5-carboxamide
CID 167334388
2-[(1S,5R)-3-azabicyclo[3.2.0]heptan-3-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525717

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide (CID 178021439) is 2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide is CC(CCC(C)(F)F)CC1CCC(F)(F)CC1C(=O)Nc1ccnc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is WLHZMKOEGQOSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F4N3O3S/c1-12(3-6-18(2,20)21)9-13-4-7-19(22,23)11-15(13)17(27)26-14-5-8-25-16(10-14)30(24,28)29/h5,8,10,12-13,15H,3-4,6-7,9,11H2,1-2H3,(H2,24,28,29)(H,25,26,27).
What are the key properties of 2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide?
2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 178021439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).