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

C21H17F3N2O3S — CID 169307872

IUPACN-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H17F3N2O3S/c1-14-12-17(25-20(27)15-6-3-2-4-7-15)10-11-19(14)30(28,29)26-18-9-5-8-16(13-18)21(22,23)24/h2-13,26H,1H3,(H,25,27)
InChIKeyYRMNKCAHZZLUSY-UHFFFAOYSA-N
MW434.44 g/mol
LogP5.07
Rot. Bonds5

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

N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide (PubChem CID 169307872) has the molecular formula C21H17F3N2O3S and a molecular weight of 434.44 g/mol. Its IUPAC name is N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
PubChem CID169307872
Molecular FormulaC21H17F3N2O3S
Molecular Weight434.44 g/mol
Exact Mass434.09
IUPAC NameN-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H17F3N2O3S/c1-14-12-17(25-20(27)15-6-3-2-4-7-15)10-11-19(14)30(28,29)26-18-9-5-8-16(13-18)21(22,23)24/h2-13,26H,1H3,(H,25,27)
InChIKeyYRMNKCAHZZLUSY-UHFFFAOYSA-N
XLogP5.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.44
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169308185
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
CID 169307902
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide
CID 169307992
3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 25359012
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide
CID 169307937
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide
CID 170343075
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933
3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 8762521
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The IUPAC name of N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide (CID 169307872) is N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide.
What is the SMILES notation for N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The canonical SMILES for N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide is Cc1cc(NC(=O)c2ccccc2)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The InChIKey is YRMNKCAHZZLUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3S/c1-14-12-17(25-20(27)15-6-3-2-4-7-15)10-11-19(14)30(28,29)26-18-9-5-8-16(13-18)21(22,23)24/h2-13,26H,1H3,(H,25,27).
What are the key properties of N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide has a molecular weight of 434.44 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 169307872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).