N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide

C21H18F3N3O3S — CID 170125944

IUPACN-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1-c1ccccn1
InChIInChI=1S/C21H18F3N3O3S/c1-14-5-8-16(12-18(14)19-4-2-3-11-25-19)27-20(28)15-6-9-17(10-7-15)31(29,30)26-13-21(22,23)24/h2-12,26H,13H2,1H3,(H,27,28)
InChIKeyCPIOXMVRSOVNGI-UHFFFAOYSA-N
MW449.45 g/mol
LogP4.15
Rot. Bonds6

About N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide

N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide (PubChem CID 170125944) has the molecular formula C21H18F3N3O3S and a molecular weight of 449.45 g/mol. Its IUPAC name is N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
PubChem CID170125944
Molecular FormulaC21H18F3N3O3S
Molecular Weight449.45 g/mol
Exact Mass449.10
IUPAC NameN-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1-c1ccccn1
InChIInChI=1S/C21H18F3N3O3S/c1-14-5-8-16(12-18(14)19-4-2-3-11-25-19)27-20(28)15-6-9-17(10-7-15)31(29,30)26-13-21(22,23)24/h2-12,26H,13H2,1H3,(H,27,28)
InChIKeyCPIOXMVRSOVNGI-UHFFFAOYSA-N
XLogP4.15
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.45
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide
CID 58614881
N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 17450702
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 9474695
4-[[ethoxy(methyl)phosphoryl]methyl]-N-(4-methyl-3-pyridin-2-ylphenyl)benzamide
CID 170124233
4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 26425964
3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474698
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide
CID 58614690
4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474816
tert-butyl N-[3-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]carbamate
CID 46612905
N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109060879
N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide
CID 58614661
4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide
CID 109060594

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The IUPAC name of N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide (CID 170125944) is N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1-c1ccccn1.
What is the InChIKey of N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The InChIKey is CPIOXMVRSOVNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O3S/c1-14-5-8-16(12-18(14)19-4-2-3-11-25-19)27-20(28)15-6-9-17(10-7-15)31(29,30)26-13-21(22,23)24/h2-12,26H,13H2,1H3,(H,27,28).
What are the key properties of N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide?
N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide has a molecular weight of 449.45 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide is sourced from PubChem (CID 170125944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).