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

C19H17F2N3O3S — CID 55414122

IUPAC1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C19H17F2N3O3S/c20-15-5-3-6-16(21)18(15)23-19(25)13-8-10-24(11-9-13)28(26,27)17-7-2-1-4-14(17)12-22/h1-7,13H,8-11H2,(H,23,25)
InChIKeyOWFUWOHFQOFHTR-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.88
Rot. Bonds4

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

1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide (PubChem CID 55414122) has the molecular formula C19H17F2N3O3S and a molecular weight of 405.43 g/mol. Its IUPAC name is 1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide
PubChem CID55414122
Molecular FormulaC19H17F2N3O3S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C19H17F2N3O3S/c20-15-5-3-6-16(21)18(15)23-19(25)13-8-10-24(11-9-13)28(26,27)17-7-2-1-4-14(17)12-22/h1-7,13H,8-11H2,(H,23,25)
InChIKeyOWFUWOHFQOFHTR-UHFFFAOYSA-N
XLogP2.88
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyanophenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 9081274
1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 9180398
1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 9092358
N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 78816969
1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide
CID 41264253
2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile
CID 8868910
1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26928378
1-(2-fluorophenyl)sulfonyl-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 26688330
1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26920976
1-(2-cyanophenyl)sulfonyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide
CID 55415351
1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
CID 55480317
1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide
CID 24640994

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide (CID 55414122) is 1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide is N#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2c(F)cccc2F)CC1.
What is the InChIKey of 1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide?
The InChIKey is OWFUWOHFQOFHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3S/c20-15-5-3-6-16(21)18(15)23-19(25)13-8-10-24(11-9-13)28(26,27)17-7-2-1-4-14(17)12-22/h1-7,13H,8-11H2,(H,23,25).
What are the key properties of 1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide?
1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55414122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).