N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide

C18H21FN2O3S — CID 7603385

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-3-21(4-2)25(23,24)17-10-8-14(9-11-17)13-20-18(22)15-6-5-7-16(19)12-15/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyNVGZQDFFJMOGLK-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.79
Rot. Bonds7

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide (PubChem CID 7603385) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
PubChem CID7603385
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-3-21(4-2)25(23,24)17-10-8-14(9-11-17)13-20-18(22)15-6-5-7-16(19)12-15/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyNVGZQDFFJMOGLK-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]benzamide;hydrochloride
CID 119691040
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-difluorobenzamide
CID 26423277
N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-3-fluorobenzamide
CID 18140594
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119179721
3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17485125
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
N-(1,3-benzodioxol-5-ylmethyl)-3-(diethylsulfamoyl)benzamide
CID 2082413
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
CID 9474464

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide (CID 7603385) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide?
The InChIKey is NVGZQDFFJMOGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-3-21(4-2)25(23,24)17-10-8-14(9-11-17)13-20-18(22)15-6-5-7-16(19)12-15/h5-12H,3-4,13H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide has a molecular weight of 364.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 7603385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).