4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide

C21H17F3N2O4S — CID 26643217

IUPAC4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H17F3N2O4S/c1-14-4-2-3-5-19(14)26-31(28,29)18-12-6-15(7-13-18)20(27)25-16-8-10-17(11-9-16)30-21(22,23)24/h2-13,26H,1H3,(H,25,27)
InChIKeySNWCQZULQADCFF-UHFFFAOYSA-N
MW450.44 g/mol
LogP4.95
Rot. Bonds6

About 4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide

4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 26643217) has the molecular formula C21H17F3N2O4S and a molecular weight of 450.44 g/mol. Its IUPAC name is 4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID26643217
Molecular FormulaC21H17F3N2O4S
Molecular Weight450.44 g/mol
Exact Mass450.09
IUPAC Name4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H17F3N2O4S/c1-14-4-2-3-5-19(14)26-31(28,29)18-12-6-15(7-13-18)20(27)25-16-8-10-17(11-9-16)30-21(22,23)24/h2-13,26H,1H3,(H,25,27)
InChIKeySNWCQZULQADCFF-UHFFFAOYSA-N
XLogP4.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46771083
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 9411974
N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27229309
N,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 34542806
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034927
1-(4-methoxyphenyl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]urea
CID 1405682
N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 17154391
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 26643217) is 4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is SNWCQZULQADCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O4S/c1-14-4-2-3-5-19(14)26-31(28,29)18-12-6-15(7-13-18)20(27)25-16-8-10-17(11-9-16)30-21(22,23)24/h2-13,26H,1H3,(H,25,27).
What are the key properties of 4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 450.44 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 26643217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).