4-(difluoromethylsulfonyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide

C19H20F2N2O5S2 — CID 4833922

IUPAC4-(difluoromethylsulfonyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C19H20F2N2O5S2/c20-19(21)29(25,26)16-9-7-14(8-10-16)18(24)22-15-5-4-6-17(13-15)30(27,28)23-11-2-1-3-12-23/h4-10,13,19H,1-3,11-12H2,(H,22,24)
InChIKeyHWPMMSYTQPSOPP-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.11
Rot. Bonds6

About 4-(difluoromethylsulfonyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide

4-(difluoromethylsulfonyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 4833922) has the molecular formula C19H20F2N2O5S2 and a molecular weight of 458.51 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID4833922
Molecular FormulaC19H20F2N2O5S2
Molecular Weight458.51 g/mol
Exact Mass458.08
IUPAC Name4-(difluoromethylsulfonyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C19H20F2N2O5S2/c20-19(21)29(25,26)16-9-7-14(8-10-16)18(24)22-15-5-4-6-17(13-15)30(27,28)23-11-2-1-3-12-23/h4-10,13,19H,1-3,11-12H2,(H,22,24)
InChIKeyHWPMMSYTQPSOPP-UHFFFAOYSA-N
XLogP3.11
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide
CID 10383098
N-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 25195469
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2461859
N-(3-acetamidophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 2482626
N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}-4-fluorobenzamide
CID 2811595
2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide
CID 3929877
N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4781208
2-(4-methylphenyl)sulfanyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4789030
3-fluoro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 6457724
4-[(4-methyl-1-piperazinyl)sulfonyl]-N-phenylbenzamide
CID 1262873

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide (CID 4833922) is 4-(difluoromethylsulfonyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is HWPMMSYTQPSOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O5S2/c20-19(21)29(25,26)16-9-7-14(8-10-16)18(24)22-15-5-4-6-17(13-15)30(27,28)23-11-2-1-3-12-23/h4-10,13,19H,1-3,11-12H2,(H,22,24).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide?
4-(difluoromethylsulfonyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 458.51 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4833922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).