2-sulfamoyl-N-[4-[3-(trifluoromethyl)phenyl]phenyl]benzamide

C20H15F3N2O3S — CID 71086559

IUPAC2-sulfamoyl-N-[4-[3-(trifluoromethyl)phenyl]phenyl]benzamide
SMILESNS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H15F3N2O3S/c21-20(22,23)15-5-3-4-14(12-15)13-8-10-16(11-9-13)25-19(26)17-6-1-2-7-18(17)29(24,27)28/h1-12H,(H,25,26)(H2,24,27,28)
InChIKeyWIWPRPIRKCJRMG-UHFFFAOYSA-N
MW420.41 g/mol
LogP4.27
Rot. Bonds4

About 2-sulfamoyl-N-[4-[3-(trifluoromethyl)phenyl]phenyl]benzamide

2-sulfamoyl-N-[4-[3-(trifluoromethyl)phenyl]phenyl]benzamide (PubChem CID 71086559) has the molecular formula C20H15F3N2O3S and a molecular weight of 420.41 g/mol. Its IUPAC name is 2-sulfamoyl-N-[4-[3-(trifluoromethyl)phenyl]phenyl]benzamide.

Molecular Properties

Compound Name2-sulfamoyl-N-[4-[3-(trifluoromethyl)phenyl]phenyl]benzamide
PubChem CID71086559
Molecular FormulaC20H15F3N2O3S
Molecular Weight420.41 g/mol
Exact Mass420.08
IUPAC Name2-sulfamoyl-N-[4-[3-(trifluoromethyl)phenyl]phenyl]benzamide
SMILESNS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H15F3N2O3S/c21-20(22,23)15-5-3-4-14(12-15)13-8-10-16(11-9-13)25-19(26)17-6-1-2-7-18(17)29(24,27)28/h1-12H,(H,25,26)(H2,24,27,28)
InChIKeyWIWPRPIRKCJRMG-UHFFFAOYSA-N
XLogP4.27
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid
CID 71086455
3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
CID 151250225
N-[4-(2-aminoethylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 149266248
2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 22081571
N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 44759446
3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 151068564
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
CID 131866586
CID 131866586
4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 67344510
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4789221
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029

Frequently Asked Questions

What is the IUPAC name of 2-sulfamoyl-N-[4-[3-(trifluoromethyl)phenyl]phenyl]benzamide?
The IUPAC name of 2-sulfamoyl-N-[4-[3-(trifluoromethyl)phenyl]phenyl]benzamide (CID 71086559) is 2-sulfamoyl-N-[4-[3-(trifluoromethyl)phenyl]phenyl]benzamide.
What is the SMILES notation for 2-sulfamoyl-N-[4-[3-(trifluoromethyl)phenyl]phenyl]benzamide?
The canonical SMILES for 2-sulfamoyl-N-[4-[3-(trifluoromethyl)phenyl]phenyl]benzamide is NS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-sulfamoyl-N-[4-[3-(trifluoromethyl)phenyl]phenyl]benzamide?
The InChIKey is WIWPRPIRKCJRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3S/c21-20(22,23)15-5-3-4-14(12-15)13-8-10-16(11-9-13)25-19(26)17-6-1-2-7-18(17)29(24,27)28/h1-12H,(H,25,26)(H2,24,27,28).
What are the key properties of 2-sulfamoyl-N-[4-[3-(trifluoromethyl)phenyl]phenyl]benzamide?
2-sulfamoyl-N-[4-[3-(trifluoromethyl)phenyl]phenyl]benzamide has a molecular weight of 420.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfamoyl-N-[4-[3-(trifluoromethyl)phenyl]phenyl]benzamide is sourced from PubChem (CID 71086559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).