2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide

C19H20F2N2O4S — CID 7742152

IUPAC2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2c(F)cccc2F)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H20F2N2O4S/c1-27-16-9-8-13(22-19(24)18-14(20)6-5-7-15(18)21)12-17(16)28(25,26)23-10-3-2-4-11-23/h5-9,12H,2-4,10-11H2,1H3,(H,22,24)
InChIKeyVQFQSMGSQKITMO-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.40
Rot. Bonds5

About 2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide

2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 7742152) has the molecular formula C19H20F2N2O4S and a molecular weight of 410.44 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID7742152
Molecular FormulaC19H20F2N2O4S
Molecular Weight410.44 g/mol
Exact Mass410.11
IUPAC Name2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2c(F)cccc2F)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H20F2N2O4S/c1-27-16-9-8-13(22-19(24)18-14(20)6-5-7-15(18)21)12-17(16)28(25,26)23-10-3-2-4-11-23/h5-9,12H,2-4,10-11H2,1H3,(H,22,24)
InChIKeyVQFQSMGSQKITMO-UHFFFAOYSA-N
XLogP3.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 4874945
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
3-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 119677462
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
CID 4811508
4-fluoro-3-(methoxymethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 17443904
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
N-(3-chloro-4-fluorophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2083342
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-oxidopyridin-1-ium-4-carboxamide
CID 8890703
1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea
CID 4803267
2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252564

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide (CID 7742152) is 2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide is COc1ccc(NC(=O)c2c(F)cccc2F)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is VQFQSMGSQKITMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4S/c1-27-16-9-8-13(22-19(24)18-14(20)6-5-7-15(18)21)12-17(16)28(25,26)23-10-3-2-4-11-23/h5-9,12H,2-4,10-11H2,1H3,(H,22,24).
What are the key properties of 2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide?
2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 410.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 7742152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).