N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide

C16H15F2NO3S — CID 17224852

IUPACN-(2,4-difluorophenyl)-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO3S/c1-2-9-23(21,22)15-6-4-3-5-12(15)16(20)19-14-8-7-11(17)10-13(14)18/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyZUWWATYDRLNVCC-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.40
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide

N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide (PubChem CID 17224852) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-propylsulfonylbenzamide
PubChem CID17224852
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC NameN-(2,4-difluorophenyl)-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO3S/c1-2-9-23(21,22)15-6-4-3-5-12(15)16(20)19-14-8-7-11(17)10-13(14)18/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyZUWWATYDRLNVCC-UHFFFAOYSA-N
XLogP3.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide
CID 7565548
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
2-[(2-propylsulfonylbenzoyl)amino]benzamide
CID 17224890
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855189
N-(2,4-difluorophenyl)-2-(methylamino)benzamide
CID 23937514
N-(4-acetamidophenyl)-2-propylsulfonylbenzamide
CID 17224883
[2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium
CID 20850610
N-(5-acetamido-2-chlorophenyl)-2-propylsulfonylbenzamide
CID 55916096
N-(2,4-difluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165523
dimethyl 2-[(2-propylsulfonylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 17224739
N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 2524391
5-chloro-N-(2,4-difluorophenyl)-2-(ethylamino)benzamide
CID 62166930

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide (CID 17224852) is N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide?
The InChIKey is ZUWWATYDRLNVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-2-9-23(21,22)15-6-4-3-5-12(15)16(20)19-14-8-7-11(17)10-13(14)18/h3-8,10H,2,9H2,1H3,(H,19,20).
What are the key properties of N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide?
N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide has a molecular weight of 339.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide is sourced from PubChem (CID 17224852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).