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

C20H14BrF3N2O3S — CID 26593339

IUPAC2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccccc1Br
InChIInChI=1S/C20H14BrF3N2O3S/c21-18-10-2-1-9-17(18)19(27)25-14-6-4-8-16(12-14)30(28,29)26-15-7-3-5-13(11-15)20(22,23)24/h1-12,26H,(H,25,27)
InChIKeyXCHGXNXLRYXOCE-UHFFFAOYSA-N
MW499.31 g/mol
LogP5.52
Rot. Bonds5

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

2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide (PubChem CID 26593339) has the molecular formula C20H14BrF3N2O3S and a molecular weight of 499.31 g/mol. Its IUPAC name is 2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
PubChem CID26593339
Molecular FormulaC20H14BrF3N2O3S
Molecular Weight499.31 g/mol
Exact Mass497.99
IUPAC Name2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccccc1Br
InChIInChI=1S/C20H14BrF3N2O3S/c21-18-10-2-1-9-17(18)19(27)25-14-6-4-8-16(12-14)30(28,29)26-15-7-3-5-13(11-15)20(22,23)24/h1-12,26H,(H,25,27)
InChIKeyXCHGXNXLRYXOCE-UHFFFAOYSA-N
XLogP5.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.31
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethyl)phenyl]-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 3249921
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide
CID 39154493
3-methyl-2-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 31245458
4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 26593345
N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 30880179
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 26593108
1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide
CID 3263192
2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169308185
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide (CID 26593339) is 2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide is O=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The InChIKey is XCHGXNXLRYXOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrF3N2O3S/c21-18-10-2-1-9-17(18)19(27)25-14-6-4-8-16(12-14)30(28,29)26-15-7-3-5-13(11-15)20(22,23)24/h1-12,26H,(H,25,27).
What are the key properties of 2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide has a molecular weight of 499.31 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 26593339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).