4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide

C22H20F3N3O3S — CID 139390915

IUPAC4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(C(F)(F)F)nc3)ccc2C)cc1
InChIInChI=1S/C22H20F3N3O3S/c1-14-3-8-18(9-4-14)32(30,31)28-19-11-17(7-5-15(19)2)21(29)27-13-16-6-10-20(26-12-16)22(23,24)25/h3-12,28H,13H2,1-2H3,(H,27,29)
InChIKeyXVXYZBQJZHDIDL-UHFFFAOYSA-N
MW463.48 g/mol
LogP4.45
Rot. Bonds6

About 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide

4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide (PubChem CID 139390915) has the molecular formula C22H20F3N3O3S and a molecular weight of 463.48 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
PubChem CID139390915
Molecular FormulaC22H20F3N3O3S
Molecular Weight463.48 g/mol
Exact Mass463.12
IUPAC Name4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(C(F)(F)F)nc3)ccc2C)cc1
InChIInChI=1S/C22H20F3N3O3S/c1-14-3-8-18(9-4-14)32(30,31)28-19-11-17(7-5-15(19)2)21(29)27-13-16-6-10-20(26-12-16)22(23,24)25/h3-12,28H,13H2,1-2H3,(H,27,29)
InChIKeyXVXYZBQJZHDIDL-UHFFFAOYSA-N
XLogP4.45
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide (CID 139390915) is 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(C(F)(F)F)nc3)ccc2C)cc1.
What is the InChIKey of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
The InChIKey is XVXYZBQJZHDIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3S/c1-14-3-8-18(9-4-14)32(30,31)28-19-11-17(7-5-15(19)2)21(29)27-13-16-6-10-20(26-12-16)22(23,24)25/h3-12,28H,13H2,1-2H3,(H,27,29).
What are the key properties of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide has a molecular weight of 463.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 139390915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).