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

C15H12BrF3N2O3S — CID 31578755

IUPAC4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C15H12BrF3N2O3S/c16-12-3-1-2-4-13(12)21-25(23,24)11-7-5-10(6-8-11)14(22)20-9-15(17,18)19/h1-8,21H,9H2,(H,20,22)
InChIKeyCUJNHUGCBNMNTP-UHFFFAOYSA-N
MW437.24 g/mol
LogP3.54
Rot. Bonds5

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

4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 31578755) has the molecular formula C15H12BrF3N2O3S and a molecular weight of 437.24 g/mol. Its IUPAC name is 4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID31578755
Molecular FormulaC15H12BrF3N2O3S
Molecular Weight437.24 g/mol
Exact Mass435.97
IUPAC Name4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C15H12BrF3N2O3S/c16-12-3-1-2-4-13(12)21-25(23,24)11-7-5-10(6-8-11)14(22)20-9-15(17,18)19/h1-8,21H,9H2,(H,20,22)
InChIKeyCUJNHUGCBNMNTP-UHFFFAOYSA-N
XLogP3.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.24
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60532880
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31579011
4-[(4-bromo-3-methylphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31579016
4-[(2-bromophenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058368
2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55492050
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592
4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47074325
4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221
4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 40665030
4-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 52544449
N-(2-amino-2-oxoethyl)-3-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
CID 55663136

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 31578755) is 4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of 4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is CUJNHUGCBNMNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3N2O3S/c16-12-3-1-2-4-13(12)21-25(23,24)11-7-5-10(6-8-11)14(22)20-9-15(17,18)19/h1-8,21H,9H2,(H,20,22).
What are the key properties of 4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 437.24 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 31578755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).