1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide

C18H18F2N2O3S — CID 38255420

IUPAC1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C18H18F2N2O3S/c19-15-7-4-8-16(20)17(15)26(24,25)22-11-9-13(10-12-22)18(23)21-14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,21,23)
InChIKeyLWXKIGJCROCARK-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.00
Rot. Bonds4

About 1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide

1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide (PubChem CID 38255420) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
PubChem CID38255420
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C18H18F2N2O3S/c19-15-7-4-8-16(20)17(15)26(24,25)22-11-9-13(10-12-22)18(23)21-14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,21,23)
InChIKeyLWXKIGJCROCARK-UHFFFAOYSA-N
XLogP3.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 33039644
1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide
CID 24640994
N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46554409
1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 16935009
1-(2-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 26577975
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 53075975
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46652612
1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
CID 34033160
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
N-(3-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24638911

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide (CID 38255420) is 1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is LWXKIGJCROCARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c19-15-7-4-8-16(20)17(15)26(24,25)22-11-9-13(10-12-22)18(23)21-14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,21,23).
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 38255420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).