5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide

C18H21FN2O4S — CID 26914540

IUPAC5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(OC)c2)c1
InChIInChI=1S/C18H21FN2O4S/c1-4-21(5-2)26(23,24)15-9-10-17(19)16(12-15)18(22)20-13-7-6-8-14(11-13)25-3/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyCCVKBQQLOUJNGG-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.12
Rot. Bonds7

About 5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide

5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide (PubChem CID 26914540) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide
PubChem CID26914540
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(OC)c2)c1
InChIInChI=1S/C18H21FN2O4S/c1-4-21(5-2)26(23,24)15-9-10-17(19)16(12-15)18(22)20-13-7-6-8-14(11-13)25-3/h6-12H,4-5H2,1-3H3,(H,20,22)
InChIKeyCCVKBQQLOUJNGG-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 29331887
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
5-(diethylsulfamoyl)-2-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26289053
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499
N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide
CID 7760043
ethyl 2-[4-[(4-chlorophenyl)methyl-[4-fluoro-3-[(3-methoxyphenyl)carbamoyl]phenyl]sulfonylamino]phenyl]acetate
CID 46371354
N-(3-cyclopentyloxyphenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 38859591
methyl 2-[4-[[4-fluoro-3-[(3-methoxyphenyl)carbamoyl]phenyl]sulfonyl-[(2-fluorophenyl)methyl]amino]phenyl]acetate
CID 3407595
5-[benzyl(ethyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
CID 5153096
5-(diethylsulfamoyl)-2-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 38707307
5-(diethylsulfamoyl)-2-methoxy-N-phenylbenzamide
CID 19257737
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide (CID 26914540) is 5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(OC)c2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide?
The InChIKey is CCVKBQQLOUJNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-4-21(5-2)26(23,24)15-9-10-17(19)16(12-15)18(22)20-13-7-6-8-14(11-13)25-3/h6-12H,4-5H2,1-3H3,(H,20,22).
What are the key properties of 5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide?
5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide has a molecular weight of 380.44 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 26914540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).