N-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide

C16H14F4N2O3S — CID 90075291

IUPACN-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1F
InChIInChI=1S/C16H14F4N2O3S/c1-8(2)22-26(24,25)13-6-5-11(18)14(15(13)20)16(23)21-9-3-4-10(17)12(19)7-9/h3-8,22H,1-2H3,(H,21,23)
InChIKeyXNJSFEBAYXWLPZ-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.18
Rot. Bonds5

About N-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide

N-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 90075291) has the molecular formula C16H14F4N2O3S and a molecular weight of 390.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID90075291
Molecular FormulaC16H14F4N2O3S
Molecular Weight390.36 g/mol
Exact Mass390.07
IUPAC NameN-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1F
InChIInChI=1S/C16H14F4N2O3S/c1-8(2)22-26(24,25)13-6-5-11(18)14(15(13)20)16(23)21-9-3-4-10(17)12(19)7-9/h3-8,22H,1-2H3,(H,21,23)
InChIKeyXNJSFEBAYXWLPZ-UHFFFAOYSA-N
XLogP3.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,4-difluoroanilino)-hydroxymethyl]-4-fluoro-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide
CID 134233563
(2R)-2-[[3-[(3,4-difluorophenyl)carbamoyl]-4-fluorophenyl]sulfonylamino]propanoic acid
CID 76901469
5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 90269965
N-(3,4-difluorophenyl)-1-methyl-3-[(E)-prop-1-enyl]-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 139462791
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide
CID 78797689
2-[[5-[(3,4-difluorophenyl)carbamoyl]-4-fluoro-1-methylpyrrol-3-yl]sulfonylamino]-3-methoxybutanoic acid
CID 139462792
3-(3,4-difluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114896864
2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 51248549
N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide
CID 118677106
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
CID 110428971
1-(3,4-difluorophenyl)-3-(3,3-dimethylbutan-2-yl)urea
CID 3763326

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide (CID 90075291) is N-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)c(F)c2)c1F.
What is the InChIKey of N-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is XNJSFEBAYXWLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O3S/c1-8(2)22-26(24,25)13-6-5-11(18)14(15(13)20)16(23)21-9-3-4-10(17)12(19)7-9/h3-8,22H,1-2H3,(H,21,23).
What are the key properties of N-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide?
N-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 390.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 90075291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).