N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide

C22H19F3N2O4S — CID 46102118

IUPACN-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C22H19F3N2O4S/c1-14-10-15(2)12-16(11-14)26-21(28)19-8-3-4-9-20(19)27-32(29,30)18-7-5-6-17(13-18)31-22(23,24)25/h3-13,27H,1-2H3,(H,26,28)
InChIKeyICIWIPQIOVRZGZ-UHFFFAOYSA-N
MW464.47 g/mol
LogP5.26
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide

N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide (PubChem CID 46102118) has the molecular formula C22H19F3N2O4S and a molecular weight of 464.47 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
PubChem CID46102118
Molecular FormulaC22H19F3N2O4S
Molecular Weight464.47 g/mol
Exact Mass464.10
IUPAC NameN-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C22H19F3N2O4S/c1-14-10-15(2)12-16(11-14)26-21(28)19-8-3-4-9-20(19)27-32(29,30)18-7-5-6-17(13-18)31-22(23,24)25/h3-13,27H,1-2H3,(H,26,28)
InChIKeyICIWIPQIOVRZGZ-UHFFFAOYSA-N
XLogP5.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.47
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 135379015
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034927
N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 86922473
N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31669223
3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439
N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide
CID 30286393
2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 46644069
N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 17154391
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 3900171
N-[4-(difluoromethoxy)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 4785775
2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38259281

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide (CID 46102118) is N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide is Cc1cc(C)cc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide?
The InChIKey is ICIWIPQIOVRZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4S/c1-14-10-15(2)12-16(11-14)26-21(28)19-8-3-4-9-20(19)27-32(29,30)18-7-5-6-17(13-18)31-22(23,24)25/h3-13,27H,1-2H3,(H,26,28).
What are the key properties of N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide?
N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide has a molecular weight of 464.47 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 46102118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).