1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide

C18H17F2N5O3S — CID 177192959

IUPAC1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide
SMILESN#Cc1ccccc1N1CCC(F)(F)CC1C(=O)Nc1ccnc(S(N)(=O)=O)c1
InChIInChI=1S/C18H17F2N5O3S/c19-18(20)6-8-25(14-4-2-1-3-12(14)11-21)15(10-18)17(26)24-13-5-7-23-16(9-13)29(22,27)28/h1-5,7,9,15H,6,8,10H2,(H2,22,27,28)(H,23,24,26)
InChIKeyZPSLNXMLQJRADF-UHFFFAOYSA-N
MW421.43 g/mol
LogP1.84
Rot. Bonds4

About 1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide

1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide (PubChem CID 177192959) has the molecular formula C18H17F2N5O3S and a molecular weight of 421.43 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide
PubChem CID177192959
Molecular FormulaC18H17F2N5O3S
Molecular Weight421.43 g/mol
Exact Mass421.10
IUPAC Name1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide
SMILESN#Cc1ccccc1N1CCC(F)(F)CC1C(=O)Nc1ccnc(S(N)(=O)=O)c1
InChIInChI=1S/C18H17F2N5O3S/c19-18(20)6-8-25(14-4-2-1-3-12(14)11-21)15(10-18)17(26)24-13-5-7-23-16(9-13)29(22,27)28/h1-5,7,9,15H,6,8,10H2,(H2,22,27,28)(H,23,24,26)
InChIKeyZPSLNXMLQJRADF-UHFFFAOYSA-N
XLogP1.84
TPSA129.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-5,5-difluoro-2-(2-methylphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide
CID 177192871
N-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide
CID 177192487
2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide
CID 178021439
2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146525973
1-(3,4-difluoro-2-methoxyphenyl)-4-propan-2-yl-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 177192777
5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane
CID 169124911
2-(4,4-difluoroazepan-1-yl)-5-isocyano-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 153490313
carbamoyl 4-[[5-cyano-2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonyl]amino]pyridine-2-sulfonate
CID 175605949
(2R,3S)-1-(3,4-difluoro-2-methoxyphenyl)-3-(4-fluorophenyl)-N-(2-sulfamoyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 178057345
5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146525835
2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 167111744
N-(3-aminosulfanylphenyl)-1-[3,4-difluoro-2-(trifluoromethoxy)phenyl]-4,4-difluoropiperidine-2-carboxamide
CID 177192896

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide (CID 177192959) is 1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide is N#Cc1ccccc1N1CCC(F)(F)CC1C(=O)Nc1ccnc(S(N)(=O)=O)c1.
What is the InChIKey of 1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide?
The InChIKey is ZPSLNXMLQJRADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O3S/c19-18(20)6-8-25(14-4-2-1-3-12(14)11-21)15(10-18)17(26)24-13-5-7-23-16(9-13)29(22,27)28/h1-5,7,9,15H,6,8,10H2,(H2,22,27,28)(H,23,24,26).
What are the key properties of 1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide?
1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide is sourced from PubChem (CID 177192959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).