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

C19H21F2N3O3S — CID 177192871

IUPAC(2R)-5,5-difluoro-2-(2-methylphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide
SMILESCc1ccccc1[C@@H]1CCC(F)(F)CC1C(=O)Nc1ccnc(S(N)(=O)=O)c1
InChIInChI=1S/C19H21F2N3O3S/c1-12-4-2-3-5-14(12)15-6-8-19(20,21)11-16(15)18(25)24-13-7-9-23-17(10-13)28(22,26)27/h2-5,7,9-10,15-16H,6,8,11H2,1H3,(H2,22,26,27)(H,23,24,25)/t15-,16?/m0/s1
InChIKeyUHIGOLNKUWRZAH-VYRBHSGPSA-N
MW409.46 g/mol
LogP3.20
Rot. Bonds4

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

(2R)-5,5-difluoro-2-(2-methylphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 177192871) has the molecular formula C19H21F2N3O3S and a molecular weight of 409.46 g/mol. Its IUPAC name is (2R)-5,5-difluoro-2-(2-methylphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(2R)-5,5-difluoro-2-(2-methylphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide
PubChem CID177192871
Molecular FormulaC19H21F2N3O3S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC Name(2R)-5,5-difluoro-2-(2-methylphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide
SMILESCc1ccccc1[C@@H]1CCC(F)(F)CC1C(=O)Nc1ccnc(S(N)(=O)=O)c1
InChIInChI=1S/C19H21F2N3O3S/c1-12-4-2-3-5-14(12)15-6-8-19(20,21)11-16(15)18(25)24-13-7-9-23-17(10-13)28(22,26)27/h2-5,7,9-10,15-16H,6,8,11H2,1H3,(H2,22,26,27)(H,23,24,25)/t15-,16?/m0/s1
InChIKeyUHIGOLNKUWRZAH-VYRBHSGPSA-N
XLogP3.20
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,5-difluoro-2-methylhexyl)-5,5-difluoro-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide
CID 178021439
1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide
CID 177192959
trans-(1R,2R)-N-(2-aminosulfanyl-4-pyridinyl)-2-(cyclohexen-1-yl)-5,5-difluorocyclohexane-1-carboxamide
CID 178021397
methyl 4-[[2-(4,4-difluorocyclohexyl)-5,5-difluorocyclohexanecarbonyl]amino]pyridine-2-carboxylate
CID 178021079
trans-(1S,2S)-2-amino-6-(3,4-difluoro-2-methoxyphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide
CID 177192754
cis-(1R,2S)-N-(2-aminosulfanyl-4-pyridinyl)-5,5-difluoro-2-(oxan-4-yl)cyclohexane-1-carboxamide
CID 178021502
cis-(1R,2S)-N-(2-aminosulfanyl-4-pyridinyl)-2-(4,4-difluoro-3-methylcyclohexyl)-5,5-difluorocyclohexane-1-carboxamide
CID 178021144
(1R)-N-(2-aminosulfanyl-4-pyridinyl)-5,5-difluoro-2-[(1R,3R)-3-methylcyclohexyl]cyclohexane-1-carboxamide
CID 178021291
trans-(1R,2R)-2-(2-bromophenyl)-5,5-difluorocyclohexane-1-carboxylic acid
CID 11537016
5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane
CID 169124911
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 119465831
5-chloro-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146576273

Frequently Asked Questions

What is the IUPAC name of (2R)-5,5-difluoro-2-(2-methylphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of (2R)-5,5-difluoro-2-(2-methylphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide (CID 177192871) is (2R)-5,5-difluoro-2-(2-methylphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for (2R)-5,5-difluoro-2-(2-methylphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for (2R)-5,5-difluoro-2-(2-methylphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide is Cc1ccccc1[C@@H]1CCC(F)(F)CC1C(=O)Nc1ccnc(S(N)(=O)=O)c1.
What is the InChIKey of (2R)-5,5-difluoro-2-(2-methylphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is UHIGOLNKUWRZAH-VYRBHSGPSA-N. The full InChI is InChI=1S/C19H21F2N3O3S/c1-12-4-2-3-5-14(12)15-6-8-19(20,21)11-16(15)18(25)24-13-7-9-23-17(10-13)28(22,26)27/h2-5,7,9-10,15-16H,6,8,11H2,1H3,(H2,22,26,27)(H,23,24,25)/t15-,16?/m0/s1.
What are the key properties of (2R)-5,5-difluoro-2-(2-methylphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide?
(2R)-5,5-difluoro-2-(2-methylphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,5-difluoro-2-(2-methylphenyl)-N-(2-sulfamoyl-4-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 177192871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).