4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

C20H22F2N2O3S — CID 4089870

IUPAC4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1F
InChIInChI=1S/C20H22F2N2O3S/c1-13-7-9-24(10-8-13)28(26,27)19-11-15(4-6-17(19)21)20(25)23-16-5-3-14(2)18(22)12-16/h3-6,11-13H,7-10H2,1-2H3,(H,23,25)
InChIKeyNJXUBJCJUJQDES-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.95
Rot. Bonds4

About 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 4089870) has the molecular formula C20H22F2N2O3S and a molecular weight of 408.47 g/mol. Its IUPAC name is 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID4089870
Molecular FormulaC20H22F2N2O3S
Molecular Weight408.47 g/mol
Exact Mass408.13
IUPAC Name4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1F
InChIInChI=1S/C20H22F2N2O3S/c1-13-7-9-24(10-8-13)28(26,27)19-11-15(4-6-17(19)21)20(25)23-16-5-3-14(2)18(22)12-16/h3-6,11-13H,7-10H2,1-2H3,(H,23,25)
InChIKeyNJXUBJCJUJQDES-UHFFFAOYSA-N
XLogP3.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 27241778
N-(3,5-dichlorophenyl)-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4075000
N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1333013
N-(3,4-difluorophenyl)-4-fluoro-3-(4-hydroxy-5-methylazepan-1-yl)sulfonylbenzamide
CID 118230125
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 4089871
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 3673075
N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 27241165
4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27242260
N-ethyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 27241519
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 7032351
N-(3,4-difluorophenyl)-3-(3,6-dihydroxyazepan-1-yl)sulfonyl-4-fluorobenzamide
CID 123196073
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-(4-hydroxy-5-methoxyazepan-1-yl)sulfonylbenzamide
CID 118230015

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 4089870) is 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide is Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCC(C)CC3)c2)cc1F.
What is the InChIKey of 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is NJXUBJCJUJQDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3S/c1-13-7-9-24(10-8-13)28(26,27)19-11-15(4-6-17(19)21)20(25)23-16-5-3-14(2)18(22)12-16/h3-6,11-13H,7-10H2,1-2H3,(H,23,25).
What are the key properties of 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 408.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 4089870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).