N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide

C16H15F2NO3S — CID 41148674

IUPACN-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2NO3S/c1-10(2)23(21,22)13-6-3-11(4-7-13)16(20)19-15-8-5-12(17)9-14(15)18/h3-10H,1-2H3,(H,19,20)
InChIKeyOBNNQNAWTHZIHX-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.40
Rot. Bonds4

About N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide

N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide (PubChem CID 41148674) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide
PubChem CID41148674
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC NameN-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H15F2NO3S/c1-10(2)23(21,22)13-6-3-11(4-7-13)16(20)19-15-8-5-12(17)9-14(15)18/h3-10H,1-2H3,(H,19,20)
InChIKeyOBNNQNAWTHZIHX-UHFFFAOYSA-N
XLogP3.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9164980
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7553514
4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 109044182
N-(2,4-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 9095339
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 1355774
N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059952
3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778734
3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778716
N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4558929
N-(2,4-difluorophenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2326591

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide (CID 41148674) is N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide?
The InChIKey is OBNNQNAWTHZIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-10(2)23(21,22)13-6-3-11(4-7-13)16(20)19-15-8-5-12(17)9-14(15)18/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide?
N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide has a molecular weight of 339.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 41148674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).