N-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide

C17H18FN3O4S — CID 113092963

IUPACN-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
SMILESCC(=O)Nc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H18FN3O4S/c1-11(22)19-15-9-6-13(18)10-16(15)20-17(23)12-4-7-14(8-5-12)26(24,25)21(2)3/h4-10H,1-3H3,(H,19,22)(H,20,23)
InChIKeyKBNVUIQDMRKQIC-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.29
Rot. Bonds5

About N-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide

N-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide (PubChem CID 113092963) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is N-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
PubChem CID113092963
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC NameN-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
SMILESCC(=O)Nc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H18FN3O4S/c1-11(22)19-15-9-6-13(18)10-16(15)20-17(23)12-4-7-14(8-5-12)26(24,25)21(2)3/h4-10H,1-3H3,(H,19,22)(H,20,23)
InChIKeyKBNVUIQDMRKQIC-UHFFFAOYSA-N
XLogP2.29
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 2664664
N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33314705
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
N-(2,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9164980
N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148674
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 60616670
N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide
CID 79758879
4-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2474371
4-(dimethylsulfamoyl)-N-(4-hydroxynaphthalen-1-yl)benzamide
CID 17460385
4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 110776363
4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide
CID 3956705
N-(2,4-difluorophenyl)-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295940

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide (CID 113092963) is N-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide is CC(=O)Nc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide?
The InChIKey is KBNVUIQDMRKQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-11(22)19-15-9-6-13(18)10-16(15)20-17(23)12-4-7-14(8-5-12)26(24,25)21(2)3/h4-10H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide?
N-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide has a molecular weight of 379.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-fluorophenyl)-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 113092963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).