N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

C19H19F3N2O4S — CID 34033203

IUPACN-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19F3N2O4S/c20-14-1-7-17(8-2-14)29(26,27)24-11-9-13(10-12-24)18(25)23-15-3-5-16(6-4-15)28-19(21)22/h1-8,13,19H,9-12H2,(H,23,25)
InChIKeyTWYAPVQNPHMERZ-UHFFFAOYSA-N
MW428.43 g/mol
LogP3.47
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 34033203) has the molecular formula C19H19F3N2O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID34033203
Molecular FormulaC19H19F3N2O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC NameN-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19F3N2O4S/c20-14-1-7-17(8-2-14)29(26,27)24-11-9-13(10-12-24)18(25)23-15-3-5-16(6-4-15)28-19(21)22/h1-8,13,19H,9-12H2,(H,23,25)
InChIKeyTWYAPVQNPHMERZ-UHFFFAOYSA-N
XLogP3.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 26800860
N-[4-(difluoromethoxy)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894793
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450
N-[4-(difluoromethoxy)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide
CID 2709465
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
CID 34033160
N-[4-(3-fluorophenoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55907296
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 24687006
N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327593
1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 100652108
1-(4-fluorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 133168255

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 34033203) is N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is TWYAPVQNPHMERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4S/c20-14-1-7-17(8-2-14)29(26,27)24-11-9-13(10-12-24)18(25)23-15-3-5-16(6-4-15)28-19(21)22/h1-8,13,19H,9-12H2,(H,23,25).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 428.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 34033203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).