N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide

C19H19F6N3O3S — CID 31894215

IUPACN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H19F6N3O3S/c1-27(2)16-6-5-14(32(30,31)28(3)4)10-15(16)26-17(29)11-7-12(18(20,21)22)9-13(8-11)19(23,24)25/h5-10H,1-4H3,(H,26,29)
InChIKeyKBINLTUTJMCCJE-UHFFFAOYSA-N
MW483.43 g/mol
LogP4.29
Rot. Bonds5

About N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 31894215) has the molecular formula C19H19F6N3O3S and a molecular weight of 483.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID31894215
Molecular FormulaC19H19F6N3O3S
Molecular Weight483.43 g/mol
Exact Mass483.11
IUPAC NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H19F6N3O3S/c1-27(2)16-6-5-14(32(30,31)28(3)4)10-15(16)26-17(29)11-7-12(18(20,21)22)9-13(8-11)19(23,24)25/h5-10H,1-4H3,(H,26,29)
InChIKeyKBINLTUTJMCCJE-UHFFFAOYSA-N
XLogP4.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134000118
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4795128
5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 30969614
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclopropanecarboxamide
CID 78796735
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 95781104
4-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2474371
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide
CID 119689771
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 3488603
N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 55487840
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31893771
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 39095106
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119689801

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide (CID 31894215) is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide is CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is KBINLTUTJMCCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6N3O3S/c1-27(2)16-6-5-14(32(30,31)28(3)4)10-15(16)26-17(29)11-7-12(18(20,21)22)9-13(8-11)19(23,24)25/h5-10H,1-4H3,(H,26,29).
What are the key properties of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide?
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 483.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 31894215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).