4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C15H11BrF4N2O3S — CID 31579011

IUPAC4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H11BrF4N2O3S/c16-10-3-6-13(12(17)7-10)22-26(24,25)11-4-1-9(2-5-11)14(23)21-8-15(18,19)20/h1-7,22H,8H2,(H,21,23)
InChIKeyUTJUJSBULIYEGF-UHFFFAOYSA-N
MW455.23 g/mol
LogP3.68
Rot. Bonds5

About 4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 31579011) has the molecular formula C15H11BrF4N2O3S and a molecular weight of 455.23 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID31579011
Molecular FormulaC15H11BrF4N2O3S
Molecular Weight455.23 g/mol
Exact Mass453.96
IUPAC Name4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H11BrF4N2O3S/c16-10-3-6-13(12(17)7-10)22-26(24,25)11-4-1-9(2-5-11)14(23)21-8-15(18,19)20/h1-7,22H,8H2,(H,21,23)
InChIKeyUTJUJSBULIYEGF-UHFFFAOYSA-N
XLogP3.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.23
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31578755
4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31579016
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064256
4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide
CID 109057942
4-[(2,4-difluorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058529
6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 115283099
3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60532880
4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 52544449
3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60533253
2-(4-bromo-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688294
4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
CID 8501109

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 31579011) is 4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is UTJUJSBULIYEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF4N2O3S/c16-10-3-6-13(12(17)7-10)22-26(24,25)11-4-1-9(2-5-11)14(23)21-8-15(18,19)20/h1-7,22H,8H2,(H,21,23).
What are the key properties of 4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 455.23 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 31579011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).