2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide

C17H18F2N2O3S — CID 25038796

IUPAC2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C)c(F)c2)c1
InChIInChI=1S/C17H18F2N2O3S/c1-3-8-20-25(23,24)13-6-7-15(18)14(10-13)17(22)21-12-5-4-11(2)16(19)9-12/h4-7,9-10,20H,3,8H2,1-2H3,(H,21,22)
InChIKeyAFCBLUOQOYYMJH-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.21
Rot. Bonds6

About 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide

2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide (PubChem CID 25038796) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide
PubChem CID25038796
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C)c(F)c2)c1
InChIInChI=1S/C17H18F2N2O3S/c1-3-8-20-25(23,24)13-6-7-15(18)14(10-13)17(22)21-12-5-4-11(2)16(19)9-12/h4-7,9-10,20H,3,8H2,1-2H3,(H,21,22)
InChIKeyAFCBLUOQOYYMJH-UHFFFAOYSA-N
XLogP3.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide
CID 5056641
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 90259140
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4524450
2,4-difluoro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 38352115
2,5-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17320181
2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 38352261
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 55991390
2,4-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4778992
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 3673075
N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314755

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide?
The IUPAC name of 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide (CID 25038796) is 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C)c(F)c2)c1.
What is the InChIKey of 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide?
The InChIKey is AFCBLUOQOYYMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-3-8-20-25(23,24)13-6-7-15(18)14(10-13)17(22)21-12-5-4-11(2)16(19)9-12/h4-7,9-10,20H,3,8H2,1-2H3,(H,21,22).
What are the key properties of 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide?
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide has a molecular weight of 368.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide is sourced from PubChem (CID 25038796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).