4,4-difluoro-N-(3-sulfamoylphenyl)-1-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-2-carboxamide

C19H24F5N3O3S — CID 178021388

IUPAC4,4-difluoro-N-(3-sulfamoylphenyl)-1-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-2-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)C2CC(F)(F)CCN2[C@H]2CCC[C@@H](C(F)(F)F)C2)c1
InChIInChI=1S/C19H24F5N3O3S/c20-18(21)7-8-27(14-5-1-3-12(9-14)19(22,23)24)16(11-18)17(28)26-13-4-2-6-15(10-13)31(25,29)30/h2,4,6,10,12,14,16H,1,3,5,7-9,11H2,(H,26,28)(H2,25,29,30)/t12-,14+,16?/m1/s1
InChIKeyYPUYJQZETAYMFJ-SCYXSXAHSA-N
MW469.48 g/mol
LogP3.49
Rot. Bonds4

About 4,4-difluoro-N-(3-sulfamoylphenyl)-1-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-2-carboxamide

4,4-difluoro-N-(3-sulfamoylphenyl)-1-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-2-carboxamide (PubChem CID 178021388) has the molecular formula C19H24F5N3O3S and a molecular weight of 469.48 g/mol. Its IUPAC name is 4,4-difluoro-N-(3-sulfamoylphenyl)-1-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(3-sulfamoylphenyl)-1-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-2-carboxamide
PubChem CID178021388
Molecular FormulaC19H24F5N3O3S
Molecular Weight469.48 g/mol
Exact Mass469.15
IUPAC Name4,4-difluoro-N-(3-sulfamoylphenyl)-1-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-2-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)C2CC(F)(F)CCN2[C@H]2CCC[C@@H](C(F)(F)F)C2)c1
InChIInChI=1S/C19H24F5N3O3S/c20-18(21)7-8-27(14-5-1-3-12(9-14)19(22,23)24)16(11-18)17(28)26-13-4-2-6-15(10-13)31(25,29)30/h2,4,6,10,12,14,16H,1,3,5,7-9,11H2,(H,26,28)(H2,25,29,30)/t12-,14+,16?/m1/s1
InChIKeyYPUYJQZETAYMFJ-SCYXSXAHSA-N
XLogP3.49
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,4-difluoro-N-(3-sulfamoylphenyl)-1-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-2-carboxamide with MolForge

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Related Compounds

N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757
2-methyl-N-(3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 47101138
trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93365685
(3S)-2,2-dimethyl-N-(3-sulfamoylphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 124846214
N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 60635841
2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
CID 163395292
(2R)-1-[(3-sulfamoylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78923074
(1R)-6-(4,4-difluoroazepan-1-yl)-N-(3-sulfamoylphenyl)-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 167111753
3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 124728461
(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 38150508
2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide
CID 163395369
2-amino-3-hydroxy-N-[3-(trifluoromethylsulfonyl)phenyl]cyclopentane-1-carboxamide
CID 170310821

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(3-sulfamoylphenyl)-1-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-2-carboxamide?
The IUPAC name of 4,4-difluoro-N-(3-sulfamoylphenyl)-1-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-2-carboxamide (CID 178021388) is 4,4-difluoro-N-(3-sulfamoylphenyl)-1-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-2-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(3-sulfamoylphenyl)-1-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-2-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(3-sulfamoylphenyl)-1-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-2-carboxamide is NS(=O)(=O)c1cccc(NC(=O)C2CC(F)(F)CCN2[C@H]2CCC[C@@H](C(F)(F)F)C2)c1.
What is the InChIKey of 4,4-difluoro-N-(3-sulfamoylphenyl)-1-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-2-carboxamide?
The InChIKey is YPUYJQZETAYMFJ-SCYXSXAHSA-N. The full InChI is InChI=1S/C19H24F5N3O3S/c20-18(21)7-8-27(14-5-1-3-12(9-14)19(22,23)24)16(11-18)17(28)26-13-4-2-6-15(10-13)31(25,29)30/h2,4,6,10,12,14,16H,1,3,5,7-9,11H2,(H,26,28)(H2,25,29,30)/t12-,14+,16?/m1/s1.
What are the key properties of 4,4-difluoro-N-(3-sulfamoylphenyl)-1-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-2-carboxamide?
4,4-difluoro-N-(3-sulfamoylphenyl)-1-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-2-carboxamide has a molecular weight of 469.48 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(3-sulfamoylphenyl)-1-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]piperidine-2-carboxamide is sourced from PubChem (CID 178021388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).