4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide

C16H18FN3O3S — CID 53283277

IUPAC4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C16H18FN3O3S/c1-19(2)24(22,23)20(3)13-10-8-12(9-11-13)16(21)18-15-7-5-4-6-14(15)17/h4-11H,1-3H3,(H,18,21)
InChIKeyHKFHNCUZMBYOJF-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.32
Rot. Bonds5

About 4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide

4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide (PubChem CID 53283277) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide
PubChem CID53283277
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C16H18FN3O3S/c1-19(2)24(22,23)20(3)13-10-8-12(9-11-13)16(21)18-15-7-5-4-6-14(15)17/h4-11H,1-3H3,(H,18,21)
InChIKeyHKFHNCUZMBYOJF-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[dimethylsulfamoyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 92664146
methyl 2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]benzoate
CID 92664116
4-[dimethylsulfamoyl(methyl)amino]-N-phenylbenzamide
CID 53283335
2-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92664179
N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 13322356
4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide
CID 8780386
N-(2-fluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 24592548
N-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664202
methyl 3-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-4-methylbenzoate
CID 92664160
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide
CID 92664129
4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide
CID 53283300

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide?
The IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide (CID 53283277) is 4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide.
What is the SMILES notation for 4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide?
The canonical SMILES for 4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide is CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide?
The InChIKey is HKFHNCUZMBYOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-19(2)24(22,23)20(3)13-10-8-12(9-11-13)16(21)18-15-7-5-4-6-14(15)17/h4-11H,1-3H3,(H,18,21).
What are the key properties of 4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide?
4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide has a molecular weight of 351.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide is sourced from PubChem (CID 53283277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).