4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C16H14BrF3N2O3S — CID 31579016

IUPAC4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)ccc1Br
InChIInChI=1S/C16H14BrF3N2O3S/c1-10-8-12(4-7-14(10)17)22-26(24,25)13-5-2-11(3-6-13)15(23)21-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23)
InChIKeyWWRHKELJSVSHED-UHFFFAOYSA-N
MW451.26 g/mol
LogP3.85
Rot. Bonds5

About 4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 31579016) has the molecular formula C16H14BrF3N2O3S and a molecular weight of 451.26 g/mol. Its IUPAC name is 4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID31579016
Molecular FormulaC16H14BrF3N2O3S
Molecular Weight451.26 g/mol
Exact Mass449.99
IUPAC Name4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)ccc1Br
InChIInChI=1S/C16H14BrF3N2O3S/c1-10-8-12(4-7-14(10)17)22-26(24,25)13-5-2-11(3-6-13)15(23)21-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23)
InChIKeyWWRHKELJSVSHED-UHFFFAOYSA-N
XLogP3.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.26
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 52544449
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064256
4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31578755
4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31579011
N-(2-amino-2-oxoethyl)-3-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
CID 55663136
3-[[4-(propan-2-ylsulfamoyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55879590
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid
CID 62811238
4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid
CID 65436899
4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide
CID 7938742

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 31579016) is 4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is Cc1cc(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)ccc1Br.
What is the InChIKey of 4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is WWRHKELJSVSHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3N2O3S/c1-10-8-12(4-7-14(10)17)22-26(24,25)13-5-2-11(3-6-13)15(23)21-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23).
What are the key properties of 4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 451.26 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 31579016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).