2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide

C22H19F3N2O4S — CID 38034927

IUPAC2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C22H19F3N2O4S/c1-14-10-11-18(32(29,30)27-20-9-4-3-6-15(20)2)13-19(14)21(28)26-16-7-5-8-17(12-16)31-22(23,24)25/h3-13,27H,1-2H3,(H,26,28)
InChIKeyKDIDKHXNDPYUJD-UHFFFAOYSA-N
MW464.47 g/mol
LogP5.26
Rot. Bonds6

About 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide

2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 38034927) has the molecular formula C22H19F3N2O4S and a molecular weight of 464.47 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID38034927
Molecular FormulaC22H19F3N2O4S
Molecular Weight464.47 g/mol
Exact Mass464.10
IUPAC Name2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C22H19F3N2O4S/c1-14-10-11-18(32(29,30)27-20-9-4-3-6-15(20)2)13-19(14)21(28)26-16-7-5-8-17(12-16)31-22(23,24)25/h3-13,27H,1-2H3,(H,26,28)
InChIKeyKDIDKHXNDPYUJD-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-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 46102118
N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 56527434
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643217
N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 55465626
2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38259281
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 55982879
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 55869339
N-(2,4-dichlorophenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 135379015
N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 56586349
N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31669223
2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38032669

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide (CID 38034927) is 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is KDIDKHXNDPYUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4S/c1-14-10-11-18(32(29,30)27-20-9-4-3-6-15(20)2)13-19(14)21(28)26-16-7-5-8-17(12-16)31-22(23,24)25/h3-13,27H,1-2H3,(H,26,28).
What are the key properties of 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide?
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]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 2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 38034927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).