2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

C13H8Br2F3NO2S — CID 2497166

IUPAC2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1cc(Br)ccc1Br
InChIInChI=1S/C13H8Br2F3NO2S/c14-8-5-6-10(15)12(7-8)22(20,21)19-11-4-2-1-3-9(11)13(16,17)18/h1-7,19H
InChIKeyVUBRRRFWMSEKJA-UHFFFAOYSA-N
MW459.08 g/mol
LogP5.03
Rot. Bonds3

About 2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 2497166) has the molecular formula C13H8Br2F3NO2S and a molecular weight of 459.08 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID2497166
Molecular FormulaC13H8Br2F3NO2S
Molecular Weight459.08 g/mol
Exact Mass456.86
IUPAC Name2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1cc(Br)ccc1Br
InChIInChI=1S/C13H8Br2F3NO2S/c14-8-5-6-10(15)12(7-8)22(20,21)19-11-4-2-1-3-9(11)13(16,17)18/h1-7,19H
InChIKeyVUBRRRFWMSEKJA-UHFFFAOYSA-N
XLogP5.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.08
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78787079
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774165
5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 79998351
2-[(2,5-dibromophenyl)sulfonylamino]benzenecarbothioamide
CID 28880730
2-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 12017862
4-bromo-N-(2-tert-butylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3861912
N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide
CID 29008391
4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide
CID 7939182
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3861159
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
CID 97455644
5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide
CID 65201946
2,5-dibromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2477661

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 2497166) is 2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1C(F)(F)F)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is VUBRRRFWMSEKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2F3NO2S/c14-8-5-6-10(15)12(7-8)22(20,21)19-11-4-2-1-3-9(11)13(16,17)18/h1-7,19H.
What are the key properties of 2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 459.08 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2497166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).