5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide

C14H9Br2F3N2O3S — CID 174449375

IUPAC5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H9Br2F3N2O3S/c15-8-1-4-10(5-2-8)20-13(22)11-7-9(16)3-6-12(11)21-25(23,24)14(17,18)19/h1-7,21H,(H,20,22)
InChIKeyAWTFFPPPPXPCKV-UHFFFAOYSA-N
MW502.11 g/mol
LogP4.73
Rot. Bonds4

About 5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide

5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide (PubChem CID 174449375) has the molecular formula C14H9Br2F3N2O3S and a molecular weight of 502.11 g/mol. Its IUPAC name is 5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide
PubChem CID174449375
Molecular FormulaC14H9Br2F3N2O3S
Molecular Weight502.11 g/mol
Exact Mass499.87
IUPAC Name5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H9Br2F3N2O3S/c15-8-1-4-10(5-2-8)20-13(22)11-7-9(16)3-6-12(11)21-25(23,24)14(17,18)19/h1-7,21H,(H,20,22)
InChIKeyAWTFFPPPPXPCKV-UHFFFAOYSA-N
XLogP4.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.11
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-bromophenyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
CID 10282258
2-anilino-5-bromo-N-phenylbenzamide
CID 23094060
5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide
CID 56579817
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide
CID 28739625
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
4-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367797
2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide
CID 166636313
5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 100536288
4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid
CID 12017257
3,5-dibromo-N-(4-bromophenyl)-2-sulfanylbenzamide
CID 27451
5-bromo-N-[4-[(5-bromo-2-methylsulfanylbenzoyl)amino]phenyl]-2-methylsulfanylbenzamide
CID 4604381

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide?
The IUPAC name of 5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide (CID 174449375) is 5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide.
What is the SMILES notation for 5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide?
The canonical SMILES for 5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide is O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide?
The InChIKey is AWTFFPPPPXPCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F3N2O3S/c15-8-1-4-10(5-2-8)20-13(22)11-7-9(16)3-6-12(11)21-25(23,24)14(17,18)19/h1-7,21H,(H,20,22).
What are the key properties of 5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide?
5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide has a molecular weight of 502.11 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromophenyl)-2-(trifluoromethylsulfonylamino)benzamide is sourced from PubChem (CID 174449375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).