2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide

C13H16F2N2O3S — CID 62660672

IUPAC2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cccc(F)c2F)CC1
InChIInChI=1S/C13H16F2N2O3S/c1-21(19,20)17-7-5-9(6-8-17)16-13(18)10-3-2-4-11(14)12(10)15/h2-4,9H,5-8H2,1H3,(H,16,18)
InChIKeyFVNOQYLGOCSREF-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.12
Rot. Bonds3

About 2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide

2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide (PubChem CID 62660672) has the molecular formula C13H16F2N2O3S and a molecular weight of 318.34 g/mol. Its IUPAC name is 2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
PubChem CID62660672
Molecular FormulaC13H16F2N2O3S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC Name2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2cccc(F)c2F)CC1
InChIInChI=1S/C13H16F2N2O3S/c1-21(19,20)17-7-5-9(6-8-17)16-13(18)10-3-2-4-11(14)12(10)15/h2-4,9H,5-8H2,1H3,(H,16,18)
InChIKeyFVNOQYLGOCSREF-UHFFFAOYSA-N
XLogP1.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
CID 62649219
2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 61378831
6-fluoro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 115497114
2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 108561587
N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
CID 62661461
2,3-difluoro-N-(thian-4-yl)benzamide
CID 115605205
N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide
CID 63625025
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2,3-difluorobenzamide
CID 63627169
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
2,3-difluoro-N-(4-methylcycloheptyl)benzamide
CID 102795195

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide (CID 62660672) is 2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide is CS(=O)(=O)N1CCC(NC(=O)c2cccc(F)c2F)CC1.
What is the InChIKey of 2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is FVNOQYLGOCSREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S/c1-21(19,20)17-7-5-9(6-8-17)16-13(18)10-3-2-4-11(14)12(10)15/h2-4,9H,5-8H2,1H3,(H,16,18).
What are the key properties of 2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 318.34 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 62660672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).