3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide

C22H19Cl2FN2O3S — CID 23401849

IUPAC3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccccn1)C(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl2FN2O3S/c1-14(22(28)27-13-17-4-2-3-11-26-17)21(19-12-16(24)7-10-20(19)25)31(29,30)18-8-5-15(23)6-9-18/h2-12,14,21H,13H2,1H3,(H,27,28)
InChIKeyMYDGTJMHAOTJLM-UHFFFAOYSA-N
MW481.38 g/mol
LogP4.99
Rot. Bonds7

About 3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide

3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 23401849) has the molecular formula C22H19Cl2FN2O3S and a molecular weight of 481.38 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID23401849
Molecular FormulaC22H19Cl2FN2O3S
Molecular Weight481.38 g/mol
Exact Mass480.05
IUPAC Name3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccccn1)C(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19Cl2FN2O3S/c1-14(22(28)27-13-17-4-2-3-11-26-17)21(19-12-16(24)7-10-20(19)25)31(29,30)18-8-5-15(23)6-9-18/h2-12,14,21H,13H2,1H3,(H,27,28)
InChIKeyMYDGTJMHAOTJLM-UHFFFAOYSA-N
XLogP4.99
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.38
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichloro-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 53281220
2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine
CID 59750846
2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 22300039
4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 4882339
(2S)-2-(3-chlorophenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 29057267
5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110759353
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 6493568
2-(methylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 62637273
2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110296640
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 3249148

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide (CID 23401849) is 3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide is CC(C(=O)NCc1ccccn1)C(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is MYDGTJMHAOTJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2FN2O3S/c1-14(22(28)27-13-17-4-2-3-11-26-17)21(19-12-16(24)7-10-20(19)25)31(29,30)18-8-5-15(23)6-9-18/h2-12,14,21H,13H2,1H3,(H,27,28).
What are the key properties of 3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide?
3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 481.38 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 23401849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).