2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide

C21H20ClN3O3S — CID 2282095

IUPAC2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C21H20ClN3O3S/c1-15-5-9-19(10-6-15)29(27,28)25(20-12-17(22)8-7-16(20)2)14-21(26)24-18-4-3-11-23-13-18/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyNFDWXCHKUTXJDG-UHFFFAOYSA-N
MW429.93 g/mol
LogP4.19
Rot. Bonds6

About 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide

2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide (PubChem CID 2282095) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
PubChem CID2282095
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC Name2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C21H20ClN3O3S/c1-15-5-9-19(10-6-15)29(27,28)25(20-12-17(22)8-7-16(20)2)14-21(26)24-18-4-3-11-23-13-18/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyNFDWXCHKUTXJDG-UHFFFAOYSA-N
XLogP4.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide (CID 2282095) is 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cc(Cl)ccc2C)cc1.
What is the InChIKey of 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
The InChIKey is NFDWXCHKUTXJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c1-15-5-9-19(10-6-15)29(27,28)25(20-12-17(22)8-7-16(20)2)14-21(26)24-18-4-3-11-23-13-18/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide?
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide has a molecular weight of 429.93 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 2282095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).