4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide

C19H20F2N2O3S — CID 35400886

IUPAC4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20F2N2O3S/c1-13-12-16(21)6-7-18(13)27(25,26)23-10-8-17(9-11-23)22-19(24)14-2-4-15(20)5-3-14/h2-7,12,17H,8-11H2,1H3,(H,22,24)
InChIKeyXUTIEVZYPATISS-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.86
Rot. Bonds4

About 4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide

4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide (PubChem CID 35400886) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is 4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide
PubChem CID35400886
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC Name4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20F2N2O3S/c1-13-12-16(21)6-7-18(13)27(25,26)23-10-8-17(9-11-23)22-19(24)14-2-4-15(20)5-3-14/h2-7,12,17H,8-11H2,1H3,(H,22,24)
InChIKeyXUTIEVZYPATISS-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-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242
N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 110823232
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide
CID 108562672
5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 34100373
3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide
CID 42866734
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide
CID 35400948
4-fluoro-N-[8-(5-fluoro-2-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 156610393
4-fluoro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 35400940
N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49460434
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 32681074
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide
CID 108562425

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide (CID 35400886) is 4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide is Cc1cc(F)ccc1S(=O)(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The InChIKey is XUTIEVZYPATISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c1-13-12-16(21)6-7-18(13)27(25,26)23-10-8-17(9-11-23)22-19(24)14-2-4-15(20)5-3-14/h2-7,12,17H,8-11H2,1H3,(H,22,24).
What are the key properties of 4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
4-fluoro-N-[1-(4-fluoro-2-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 4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide is sourced from PubChem (CID 35400886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).