N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

C22H21F3N4O3S — CID 55621279

IUPACN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCN(C)c1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C22H21F3N4O3S/c1-29(2)20-11-10-15(13-26-20)14-27-21(30)18-8-3-4-9-19(18)28-33(31,32)17-7-5-6-16(12-17)22(23,24)25/h3-13,28H,14H2,1-2H3,(H,27,30)
InChIKeyCNRCXKPXRFCSGP-UHFFFAOYSA-N
MW478.50 g/mol
LogP3.90
Rot. Bonds7

About N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (PubChem CID 55621279) has the molecular formula C22H21F3N4O3S and a molecular weight of 478.50 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
PubChem CID55621279
Molecular FormulaC22H21F3N4O3S
Molecular Weight478.50 g/mol
Exact Mass478.13
IUPAC NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCN(C)c1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C22H21F3N4O3S/c1-29(2)20-11-10-15(13-26-20)14-27-21(30)18-8-3-4-9-19(18)28-33(31,32)17-7-5-6-16(12-17)22(23,24)25/h3-13,28H,14H2,1-2H3,(H,27,30)
InChIKeyCNRCXKPXRFCSGP-UHFFFAOYSA-N
XLogP3.90
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 2336757
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55621100
N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 78843246
N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 135058672
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55621126
N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 2333973
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
N-benzyl-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2548502
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 5036401

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (CID 55621279) is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is CN(C)c1ccc(CNC(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The InChIKey is CNRCXKPXRFCSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3S/c1-29(2)20-11-10-15(13-26-20)14-27-21(30)18-8-3-4-9-19(18)28-33(31,32)17-7-5-6-16(12-17)22(23,24)25/h3-13,28H,14H2,1-2H3,(H,27,30).
What are the key properties of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide has a molecular weight of 478.50 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 55621279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).