3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C15H12BrF3N2O3S — CID 60532880

IUPAC3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1cccc(S(=O)(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C15H12BrF3N2O3S/c16-12-6-1-2-7-13(12)21-25(23,24)11-5-3-4-10(8-11)14(22)20-9-15(17,18)19/h1-8,21H,9H2,(H,20,22)
InChIKeyRQXBUEBGWRCXOJ-UHFFFAOYSA-N
MW437.24 g/mol
LogP3.54
Rot. Bonds5

About 3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 60532880) has the molecular formula C15H12BrF3N2O3S and a molecular weight of 437.24 g/mol. Its IUPAC name is 3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID60532880
Molecular FormulaC15H12BrF3N2O3S
Molecular Weight437.24 g/mol
Exact Mass435.97
IUPAC Name3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1cccc(S(=O)(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C15H12BrF3N2O3S/c16-12-6-1-2-7-13(12)21-25(23,24)11-5-3-4-10(8-11)14(22)20-9-15(17,18)19/h1-8,21H,9H2,(H,20,22)
InChIKeyRQXBUEBGWRCXOJ-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

4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31578755
3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60533253
N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
CID 55879588
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 37064206
3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119988475
3-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 52700082
3-[(2-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55901843
3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55896243
3-(tribromomethylsulfonyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18717059
3-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55878516
3-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55896287
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide
CID 52699404

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 60532880) is 3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)Nc2ccccc2Br)c1.
What is the InChIKey of 3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is RQXBUEBGWRCXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3N2O3S/c16-12-6-1-2-7-13(12)21-25(23,24)11-5-3-4-10(8-11)14(22)20-9-15(17,18)19/h1-8,21H,9H2,(H,20,22).
What are the key properties of 3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
3-[(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 3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 60532880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).