N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide

C21H24FN3O4S — CID 42925906

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C21H24FN3O4S/c1-13-10-18(30(23,28)29)11-19(14(13)2)24-20(26)16-4-3-9-25(12-16)21(27)15-5-7-17(22)8-6-15/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,24,26)(H2,23,28,29)
InChIKeyLMCHLBAMZWBMDG-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.58
Rot. Bonds4

About N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 42925906) has the molecular formula C21H24FN3O4S and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID42925906
Molecular FormulaC21H24FN3O4S
Molecular Weight433.51 g/mol
Exact Mass433.15
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C21H24FN3O4S/c1-13-10-18(30(23,28)29)11-19(14(13)2)24-20(26)16-4-3-9-25(12-16)21(27)15-5-7-17(22)8-6-15/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,24,26)(H2,23,28,29)
InChIKeyLMCHLBAMZWBMDG-UHFFFAOYSA-N
XLogP2.58
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55782726
1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 24534971
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(4-fluorobenzoyl)-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 24535053
N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119617969
(3R)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide
CID 30162433
(3S)-1-(4-fluorobenzoyl)-N-(3-hydroxy-2-pyridinyl)piperidine-3-carboxamide
CID 30162435
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide (CID 42925906) is N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is LMCHLBAMZWBMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4S/c1-13-10-18(30(23,28)29)11-19(14(13)2)24-20(26)16-4-3-9-25(12-16)21(27)15-5-7-17(22)8-6-15/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,24,26)(H2,23,28,29).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 42925906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).