3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide

C19H20F2N2O3S — CID 24617746

IUPAC3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C19H20F2N2O3S/c1-13-2-5-16(6-3-13)27(25,26)23-10-8-15(9-11-23)22-19(24)14-4-7-17(20)18(21)12-14/h2-7,12,15H,8-11H2,1H3,(H,22,24)
InChIKeyBYXCYDISGGTLKK-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.86
Rot. Bonds4

About 3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide

3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide (PubChem CID 24617746) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is 3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
PubChem CID24617746
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC Name3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C19H20F2N2O3S/c1-13-2-5-16(6-3-13)27(25,26)23-10-8-15(9-11-23)22-19(24)14-4-7-17(20)18(21)12-14/h2-7,12,15H,8-11H2,1H3,(H,22,24)
InChIKeyBYXCYDISGGTLKK-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4-difluorobenzamide
CID 24614368
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 24609608
3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562939
3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 20933689
3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 26073704
2-hydroxy-4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 30095697
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561824
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide
CID 35400948

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide (CID 24617746) is 3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(F)c(F)c3)CC2)cc1.
What is the InChIKey of 3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The InChIKey is BYXCYDISGGTLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c1-13-2-5-16(6-3-13)27(25,26)23-10-8-15(9-11-23)22-19(24)14-4-7-17(20)18(21)12-14/h2-7,12,15H,8-11H2,1H3,(H,22,24).
What are the key properties of 3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide has a molecular weight of 394.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide is sourced from PubChem (CID 24617746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).