3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide

C16H15F2NO3S — CID 110778734

IUPAC3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
SMILESCC(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H15F2NO3S/c1-10(2)23(21,22)13-6-4-12(5-7-13)19-16(20)11-3-8-14(17)15(18)9-11/h3-10H,1-2H3,(H,19,20)
InChIKeyMRARJQKXQUHTBW-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.40
Rot. Bonds4

About 3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide

3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide (PubChem CID 110778734) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
PubChem CID110778734
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
SMILESCC(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H15F2NO3S/c1-10(2)23(21,22)13-6-4-12(5-7-13)19-16(20)11-3-8-14(17)15(18)9-11/h3-10H,1-2H3,(H,19,20)
InChIKeyMRARJQKXQUHTBW-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

3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778716
N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675
N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148685
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668
N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide
CID 112980494
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148674
N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide
CID 112984906
3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
CID 112986865
3-[4-[(4-propan-2-ylsulfonylbenzoyl)amino]phenyl]propanoic acid
CID 119252260
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 24636547
propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate
CID 55755393

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide (CID 110778734) is 3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide is CC(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide?
The InChIKey is MRARJQKXQUHTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-10(2)23(21,22)13-6-4-12(5-7-13)19-16(20)11-3-8-14(17)15(18)9-11/h3-10H,1-2H3,(H,19,20).
What are the key properties of 3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide?
3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide 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 3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 110778734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).