5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide

C19H22F2N2O3S — CID 17411092

IUPAC5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccccc2F)c1
InChIInChI=1S/C19H22F2N2O3S/c1-4-23(5-2)27(25,26)15-10-11-18(21)16(12-15)19(24)22(3)13-14-8-6-7-9-17(14)20/h6-12H,4-5,13H2,1-3H3
InChIKeyGGKNSBFCYQFKKD-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.27
Rot. Bonds7

About 5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide

5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 17411092) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID17411092
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC Name5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccccc2F)c1
InChIInChI=1S/C19H22F2N2O3S/c1-4-23(5-2)27(25,26)15-10-11-18(21)16(12-15)19(24)22(3)13-14-8-6-7-9-17(14)20/h6-12H,4-5,13H2,1-3H3
InChIKeyGGKNSBFCYQFKKD-UHFFFAOYSA-N
XLogP3.27
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 31138592
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
CID 39142258
5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 34976198
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 51188228
5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 31138800
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
5-(diethylsulfamoyl)-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9301737
N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 39914710
N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 34255200
5-(diethylsulfamoyl)-2-fluoro-N-(3-phenylsulfanylpropyl)benzamide
CID 38766346
4-chloro-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 60628192
N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 55903058

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide (CID 17411092) is 5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccccc2F)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is GGKNSBFCYQFKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-4-23(5-2)27(25,26)15-10-11-18(21)16(12-15)19(24)22(3)13-14-8-6-7-9-17(14)20/h6-12H,4-5,13H2,1-3H3.
What are the key properties of 5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide?
5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 396.46 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 17411092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).