4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide

C23H20Cl2F3N3O4S — CID 69181155

IUPAC4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(C(F)(F)F)nc2)ccc1NS(=O)(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C23H20Cl2F3N3O4S/c1-35-19-11-16(22(32)30-13-14-5-8-20(29-12-14)23(26,27)28)6-7-18(19)31-36(33,34)10-9-15-3-2-4-17(24)21(15)25/h2-8,11-12,31H,9-10,13H2,1H3,(H,30,32)
InChIKeyMJDHZHWMIATMMV-UHFFFAOYSA-N
MW562.40 g/mol
LogP5.33
Rot. Bonds9

About 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide

4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide (PubChem CID 69181155) has the molecular formula C23H20Cl2F3N3O4S and a molecular weight of 562.40 g/mol. Its IUPAC name is 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
PubChem CID69181155
Molecular FormulaC23H20Cl2F3N3O4S
Molecular Weight562.40 g/mol
Exact Mass561.05
IUPAC Name4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(C(F)(F)F)nc2)ccc1NS(=O)(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C23H20Cl2F3N3O4S/c1-35-19-11-16(22(32)30-13-14-5-8-20(29-12-14)23(26,27)28)6-7-18(19)31-36(33,34)10-9-15-3-2-4-17(24)21(15)25/h2-8,11-12,31H,9-10,13H2,1H3,(H,30,32)
InChIKeyMJDHZHWMIATMMV-UHFFFAOYSA-N
XLogP5.33
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.40
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide (CID 69181155) is 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide is COc1cc(C(=O)NCc2ccc(C(F)(F)F)nc2)ccc1NS(=O)(=O)CCc1cccc(Cl)c1Cl.
What is the InChIKey of 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
The InChIKey is MJDHZHWMIATMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2F3N3O4S/c1-35-19-11-16(22(32)30-13-14-5-8-20(29-12-14)23(26,27)28)6-7-18(19)31-36(33,34)10-9-15-3-2-4-17(24)21(15)25/h2-8,11-12,31H,9-10,13H2,1H3,(H,30,32).
What are the key properties of 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide?
4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide has a molecular weight of 562.40 g/mol, XLogP of 5.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 69181155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).