4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide

C18H19F3N2O3S — CID 2666437

IUPAC4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-3-23(4-2)27(25,26)16-10-8-13(9-11-16)17(24)22-15-7-5-6-14(12-15)18(19,20)21/h5-12H,3-4H2,1-2H3,(H,22,24)
InChIKeyFAEFCUPSKHBZSI-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.99
Rot. Bonds6

About 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide

4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 2666437) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID2666437
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O3S/c1-3-23(4-2)27(25,26)16-10-8-13(9-11-16)17(24)22-15-7-5-6-14(12-15)18(19,20)21/h5-12H,3-4H2,1-2H3,(H,22,24)
InChIKeyFAEFCUPSKHBZSI-UHFFFAOYSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 6503209
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
CID 2676516
4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46521899
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide
CID 36666715
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1265832
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 2666437) is 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FAEFCUPSKHBZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-3-23(4-2)27(25,26)16-10-8-13(9-11-16)17(24)22-15-7-5-6-14(12-15)18(19,20)21/h5-12H,3-4H2,1-2H3,(H,22,24).
What are the key properties of 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 400.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2666437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).