2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide

C21H18Cl2FN3O3S — CID 1330837

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1
InChIInChI=1S/C21H18Cl2FN3O3S/c22-16-6-8-17(9-7-16)31(29,30)27(13-18-19(23)4-1-5-20(18)24)14-21(28)26-12-15-3-2-10-25-11-15/h1-11H,12-14H2,(H,26,28)
InChIKeyXAILXPJJHLWNGI-UHFFFAOYSA-N
MW482.36 g/mol
LogP4.03
Rot. Bonds8

About 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide

2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 1330837) has the molecular formula C21H18Cl2FN3O3S and a molecular weight of 482.36 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID1330837
Molecular FormulaC21H18Cl2FN3O3S
Molecular Weight482.36 g/mol
Exact Mass481.04
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1
InChIInChI=1S/C21H18Cl2FN3O3S/c22-16-6-8-17(9-7-16)31(29,30)27(13-18-19(23)4-1-5-20(18)24)14-21(28)26-12-15-3-2-10-25-11-15/h1-11H,12-14H2,(H,26,28)
InChIKeyXAILXPJJHLWNGI-UHFFFAOYSA-N
XLogP4.03
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 1276550
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-ethylacetamide
CID 4035991
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 1073007
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 2230213
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
CID 126332352
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 126068222
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-pyridin-3-ylacetamide
CID 2521158
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126014071
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 94864265
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 126013513
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 53280149
3-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 100600054

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide (CID 1330837) is 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide is O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCc1cccnc1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is XAILXPJJHLWNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2FN3O3S/c22-16-6-8-17(9-7-16)31(29,30)27(13-18-19(23)4-1-5-20(18)24)14-21(28)26-12-15-3-2-10-25-11-15/h1-11H,12-14H2,(H,26,28).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide?
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 482.36 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 1330837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).