N-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide

C22H18BrF3N2O3S — CID 70685342

IUPACN-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C22H18BrF3N2O3S/c1-27(18-12-8-17(23)9-13-18)21(29)15-4-3-5-20(14-15)32(30,31)28(2)19-10-6-16(7-11-19)22(24,25)26/h3-14H,1-2H3
InChIKeyIPYFGULDINHYKG-UHFFFAOYSA-N
MW527.36 g/mol
LogP5.57
Rot. Bonds5

About N-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide

N-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 70685342) has the molecular formula C22H18BrF3N2O3S and a molecular weight of 527.36 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID70685342
Molecular FormulaC22H18BrF3N2O3S
Molecular Weight527.36 g/mol
Exact Mass526.02
IUPAC NameN-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C22H18BrF3N2O3S/c1-27(18-12-8-17(23)9-13-18)21(29)15-4-3-5-20(14-15)32(30,31)28(2)19-10-6-16(7-11-19)22(24,25)26/h3-14H,1-2H3
InChIKeyIPYFGULDINHYKG-UHFFFAOYSA-N
XLogP5.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.36
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromophenyl)-methylsulfamoyl]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide
CID 76901302
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520
carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 159596379
3-[methyl(phenyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3284690
4-bromo-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide
CID 20704088
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087855
3-[2-(4-bromo-2-fluorophenyl)acetyl]-N-(4-chlorophenyl)-N-methylbenzenesulfonamide
CID 148963932
N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 26619521
3-[(4-bromophenyl)-methylsulfamoyl]-N-(5-hydroxy-2-pyridinyl)benzamide
CID 90342470
N-(4-bromophenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 100520963
3-[methyl-(4-methylsulfinylphenyl)sulfamoyl]benzoic acid
CID 90342776

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 70685342) is N-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide is CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2)c1)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is IPYFGULDINHYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrF3N2O3S/c1-27(18-12-8-17(23)9-13-18)21(29)15-4-3-5-20(14-15)32(30,31)28(2)19-10-6-16(7-11-19)22(24,25)26/h3-14H,1-2H3.
What are the key properties of N-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 527.36 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 70685342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).