5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide

C18H21FN2O3S — CID 31138800

IUPAC5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccccc2F)c1
InChIInChI=1S/C18H21FN2O3S/c1-4-20-25(23,24)15-10-9-13(2)16(11-15)18(22)21(3)12-14-7-5-6-8-17(14)19/h5-11,20H,4,12H2,1-3H3
InChIKeyGVIGXEQQUQDBRA-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.70
Rot. Bonds6

About 5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide

5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide (PubChem CID 31138800) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
PubChem CID31138800
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccccc2F)c1
InChIInChI=1S/C18H21FN2O3S/c1-4-20-25(23,24)15-10-9-13(2)16(11-15)18(22)21(3)12-14-7-5-6-8-17(14)19/h5-11,20H,4,12H2,1-3H3
InChIKeyGVIGXEQQUQDBRA-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 36556440
5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 27827677
N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43049204
N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-5-(methylsulfamoyl)benzamide
CID 51298085
5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 17411092
5-(ethylsulfamoyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzamide
CID 134008752
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
5-[(2-fluorophenyl)methylsulfamoyl]-2-methylbenzamide
CID 34033824
2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 31138592
5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 75376134
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 38370916
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 43033076

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide?
The IUPAC name of 5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide (CID 31138800) is 5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccccc2F)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide?
The InChIKey is GVIGXEQQUQDBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-4-20-25(23,24)15-10-9-13(2)16(11-15)18(22)21(3)12-14-7-5-6-8-17(14)19/h5-11,20H,4,12H2,1-3H3.
What are the key properties of 5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide?
5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide has a molecular weight of 364.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 31138800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).