3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C16H14BrF3N2O4S — CID 60533253

IUPAC3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C16H14BrF3N2O4S/c1-26-14-6-5-11(17)8-13(14)22-27(24,25)12-4-2-3-10(7-12)15(23)21-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23)
InChIKeyIHXMPBHLZHNSFW-UHFFFAOYSA-N
MW467.26 g/mol
LogP3.55
Rot. Bonds6

About 3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 60533253) has the molecular formula C16H14BrF3N2O4S and a molecular weight of 467.26 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID60533253
Molecular FormulaC16H14BrF3N2O4S
Molecular Weight467.26 g/mol
Exact Mass465.98
IUPAC Name3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C16H14BrF3N2O4S/c1-26-14-6-5-11(17)8-13(14)22-27(24,25)12-4-2-3-10(7-12)15(23)21-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23)
InChIKeyIHXMPBHLZHNSFW-UHFFFAOYSA-N
XLogP3.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.26
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55878516
3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60532880
3-[(2-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55901843
3-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063687
3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 47062724
3-(tribromomethylsulfonyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18717059
N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657262
N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 47310957
3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55896243
3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55720773
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 60533253) is 3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is COc1ccc(Br)cc1NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is IHXMPBHLZHNSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3N2O4S/c1-26-14-6-5-11(17)8-13(14)22-27(24,25)12-4-2-3-10(7-12)15(23)21-9-16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23).
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 467.26 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 60533253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).