N-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

C21H24FN3O4S — CID 17224011

IUPACN-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H24FN3O4S/c1-2-23-30(28,29)19-9-7-18(8-10-19)24-20(26)15-11-13-25(14-12-15)21(27)16-3-5-17(22)6-4-16/h3-10,15,23H,2,11-14H2,1H3,(H,24,26)
InChIKeyJEOUKXPLYYAMHV-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.61
Rot. Bonds6

About N-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

N-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 17224011) has the molecular formula C21H24FN3O4S and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID17224011
Molecular FormulaC21H24FN3O4S
Molecular Weight433.51 g/mol
Exact Mass433.15
IUPAC NameN-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H24FN3O4S/c1-2-23-30(28,29)19-9-7-18(8-10-19)24-20(26)15-11-13-25(14-12-15)21(27)16-3-5-17(22)6-4-16/h3-10,15,23H,2,11-14H2,1H3,(H,24,26)
InChIKeyJEOUKXPLYYAMHV-UHFFFAOYSA-N
XLogP2.61
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorobenzoyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 26425670
N-[4-(butan-2-ylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223986
1-(4-fluorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17224019
1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17119366
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223995
1-(4-fluorobenzoyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223956
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
1-(4-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17119336
1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55410159
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 99816380

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 17224011) is N-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is CCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is JEOUKXPLYYAMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4S/c1-2-23-30(28,29)19-9-7-18(8-10-19)24-20(26)15-11-13-25(14-12-15)21(27)16-3-5-17(22)6-4-16/h3-10,15,23H,2,11-14H2,1H3,(H,24,26).
What are the key properties of N-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 17224011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).