5-[[[4-[2-(2,3-dichlorophenyl)ethyl-sulfinatoamino]-2-methoxybenzoyl]amino]methyl]-2-(trifluoromethyl)pyridine

C23H19Cl2F3N3O4S- — CID 69184958

IUPAC5-[[[4-[2-(2,3-dichlorophenyl)ethyl-sulfinatoamino]-2-methoxybenzoyl]amino]methyl]-2-(trifluoromethyl)pyridine
SMILESCOc1cc(N(CCc2cccc(Cl)c2Cl)S(=O)[O-])ccc1C(=O)NCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H20Cl2F3N3O4S/c1-35-19-11-16(31(36(33)34)10-9-15-3-2-4-18(24)21(15)25)6-7-17(19)22(32)30-13-14-5-8-20(29-12-14)23(26,27)28/h2-8,11-12H,9-10,13H2,1H3,(H,30,32)(H,33,34)/p-1
InChIKeyWGKXPDXOVQIXSU-UHFFFAOYSA-M
MW561.39 g/mol
LogP5.19
Rot. Bonds9

About 5-[[[4-[2-(2,3-dichlorophenyl)ethyl-sulfinatoamino]-2-methoxybenzoyl]amino]methyl]-2-(trifluoromethyl)pyridine

5-[[[4-[2-(2,3-dichlorophenyl)ethyl-sulfinatoamino]-2-methoxybenzoyl]amino]methyl]-2-(trifluoromethyl)pyridine (PubChem CID 69184958) has the molecular formula C23H19Cl2F3N3O4S- and a molecular weight of 561.39 g/mol. Its IUPAC name is 5-[[[4-[2-(2,3-dichlorophenyl)ethyl-sulfinatoamino]-2-methoxybenzoyl]amino]methyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[[[4-[2-(2,3-dichlorophenyl)ethyl-sulfinatoamino]-2-methoxybenzoyl]amino]methyl]-2-(trifluoromethyl)pyridine
PubChem CID69184958
Molecular FormulaC23H19Cl2F3N3O4S-
Molecular Weight561.39 g/mol
Exact Mass560.04
IUPAC Name5-[[[4-[2-(2,3-dichlorophenyl)ethyl-sulfinatoamino]-2-methoxybenzoyl]amino]methyl]-2-(trifluoromethyl)pyridine
SMILESCOc1cc(N(CCc2cccc(Cl)c2Cl)S(=O)[O-])ccc1C(=O)NCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H20Cl2F3N3O4S/c1-35-19-11-16(31(36(33)34)10-9-15-3-2-4-18(24)21(15)25)6-7-17(19)22(32)30-13-14-5-8-20(29-12-14)23(26,27)28/h2-8,11-12H,9-10,13H2,1H3,(H,30,32)(H,33,34)/p-1
InChIKeyWGKXPDXOVQIXSU-UHFFFAOYSA-M
XLogP5.19
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.39
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 5-[[[4-[2-(2,3-dichlorophenyl)ethyl-sulfinatoamino]-2-methoxybenzoyl]amino]methyl]-2-(trifluoromethyl)pyridine with MolForge

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Related Compounds

4-amino-5-chloro-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 54575224
4-amino-5-chloro-N-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-2-methoxybenzamide
CID 12861884
5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide;hydrochloride
CID 54583788
2-[(6-chloro-3-pyridinyl)methoxy]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 76312838
5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 13140676
N-[(2,4-dichlorophenyl)methyl]-6-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 24743172
6-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 58639382
6-(5-chloro-2-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)pyridine-3-carboxamide
CID 58639534
3-chloro-N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]benzamide
CID 59672736
3-chloro-N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)pyridin-2-yl]benzamide
CID 59672763
4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 69181155
4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-3-methoxy-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]benzamide
CID 69181159

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-[2-(2,3-dichlorophenyl)ethyl-sulfinatoamino]-2-methoxybenzoyl]amino]methyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[[[4-[2-(2,3-dichlorophenyl)ethyl-sulfinatoamino]-2-methoxybenzoyl]amino]methyl]-2-(trifluoromethyl)pyridine (CID 69184958) is 5-[[[4-[2-(2,3-dichlorophenyl)ethyl-sulfinatoamino]-2-methoxybenzoyl]amino]methyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[[[4-[2-(2,3-dichlorophenyl)ethyl-sulfinatoamino]-2-methoxybenzoyl]amino]methyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[[[4-[2-(2,3-dichlorophenyl)ethyl-sulfinatoamino]-2-methoxybenzoyl]amino]methyl]-2-(trifluoromethyl)pyridine is COc1cc(N(CCc2cccc(Cl)c2Cl)S(=O)[O-])ccc1C(=O)NCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-[[[4-[2-(2,3-dichlorophenyl)ethyl-sulfinatoamino]-2-methoxybenzoyl]amino]methyl]-2-(trifluoromethyl)pyridine?
The InChIKey is WGKXPDXOVQIXSU-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H20Cl2F3N3O4S/c1-35-19-11-16(31(36(33)34)10-9-15-3-2-4-18(24)21(15)25)6-7-17(19)22(32)30-13-14-5-8-20(29-12-14)23(26,27)28/h2-8,11-12H,9-10,13H2,1H3,(H,30,32)(H,33,34)/p-1.
What are the key properties of 5-[[[4-[2-(2,3-dichlorophenyl)ethyl-sulfinatoamino]-2-methoxybenzoyl]amino]methyl]-2-(trifluoromethyl)pyridine?
5-[[[4-[2-(2,3-dichlorophenyl)ethyl-sulfinatoamino]-2-methoxybenzoyl]amino]methyl]-2-(trifluoromethyl)pyridine has a molecular weight of 561.39 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-[2-(2,3-dichlorophenyl)ethyl-sulfinatoamino]-2-methoxybenzoyl]amino]methyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 69184958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).