N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide

C17H18FN3O4S — CID 9440801

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FN3O4S/c1-19-26(24,25)15-5-3-4-12(10-15)17(23)21(2)11-16(22)20-14-8-6-13(18)7-9-14/h3-10,19H,11H2,1-2H3,(H,20,22)
InChIKeyQCPKYZGRIJPFRA-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.44
Rot. Bonds6

About N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide (PubChem CID 9440801) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide
PubChem CID9440801
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H18FN3O4S/c1-19-26(24,25)15-5-3-4-12(10-15)17(23)21(2)11-16(22)20-14-8-6-13(18)7-9-14/h3-10,19H,11H2,1-2H3,(H,20,22)
InChIKeyQCPKYZGRIJPFRA-UHFFFAOYSA-N
XLogP1.44
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-2-oxoethyl)-N-methyl-3-(methylsulfamoyl)benzamide
CID 46415026
3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9441407
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 9426942
N-methyl-3-(methylsulfamoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9219104
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 9439272
N-[2-(dimethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9227015
N-(2-anilino-2-oxoethyl)-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46415007
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 27227245
N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide
CID 9089681
3-[methoxy(methyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 9374642
3-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 27793329
N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9409340

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide (CID 9440801) is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide?
The InChIKey is QCPKYZGRIJPFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-19-26(24,25)15-5-3-4-12(10-15)17(23)21(2)11-16(22)20-14-8-6-13(18)7-9-14/h3-10,19H,11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide has a molecular weight of 379.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 9440801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).