5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide

C18H21FN2O3S — CID 27827677

IUPAC5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C18H21FN2O3S/c1-4-20-25(23,24)16-9-8-13(2)17(11-16)18(22)21(3)12-14-6-5-7-15(19)10-14/h5-11,20H,4,12H2,1-3H3
InChIKeySMRLDUWHAMHLOZ-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.70
Rot. Bonds6

About 5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide

5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide (PubChem CID 27827677) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
PubChem CID27827677
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C18H21FN2O3S/c1-4-20-25(23,24)16-9-8-13(2)17(11-16)18(22)21(3)12-14-6-5-7-15(19)10-14/h5-11,20H,4,12H2,1-3H3
InChIKeySMRLDUWHAMHLOZ-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

Analyze 5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546886
5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 31138800
N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 36556440
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
CID 9094453
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 42909107
N-benzyl-5-(ethylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 19257900
5-(ethylsulfamoyl)-2-fluoro-N-methyl-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 75376134
5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55913537
5-(ethylsulfamoyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzamide
CID 134008752
N-[(2,4-difluorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43049204
N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride
CID 119657782

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide?
The IUPAC name of 5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide (CID 27827677) is 5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2cccc(F)c2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide?
The InChIKey is SMRLDUWHAMHLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-4-20-25(23,24)16-9-8-13(2)17(11-16)18(22)21(3)12-14-6-5-7-15(19)10-14/h5-11,20H,4,12H2,1-3H3.
What are the key properties of 5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide?
5-(ethylsulfamoyl)-N-[(3-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-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 27827677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).