5-[(2-chlorophenyl)sulfonylamino]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid

C20H21ClN4O5S — CID 50766419

About 5-[(2-chlorophenyl)sulfonylamino]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid

5-[(2-chlorophenyl)sulfonylamino]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid (PubChem CID 50766419) has the molecular formula C20H21ClN4O5S and a molecular weight of 464.93 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)sulfonylamino]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(2-chlorophenyl)sulfonylamino]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid
• PubChem CID: 50766419
• Molecular Formula: C20H21ClN4O5S
• Molecular Weight: 464.93 g/mol
• Exact Mass: 464.09
• IUPAC Name: 5-[(2-chlorophenyl)sulfonylamino]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid
• SMILES: Cc1noc(C)c1CCN(C)c1ncc(NS(=O)(=O)c2ccccc2Cl)cc1C(=O)O
• InChI: InChI=1S/C20H21ClN4O5S/c1-12-15(13(2)30-23-12)8-9-25(3)19-16(20(26)27)10-14(11-22-19)24-31(28,29)18-7-5-4-6-17(18)21/h4-7,10-11,24H,8-9H2,1-3H3,(H,26,27)
• InChIKey: UFYDKUSVMGZBPT-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 125.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.93
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)sulfonylamino]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid?

The IUPAC name of 5-[(2-chlorophenyl)sulfonylamino]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid (CID 50766419) is 5-[(2-chlorophenyl)sulfonylamino]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[(2-chlorophenyl)sulfonylamino]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid?

The canonical SMILES for 5-[(2-chlorophenyl)sulfonylamino]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid is Cc1noc(C)c1CCN(C)c1ncc(NS(=O)(=O)c2ccccc2Cl)cc1C(=O)O.

What is the InChIKey of 5-[(2-chlorophenyl)sulfonylamino]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid?

The InChIKey is UFYDKUSVMGZBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O5S/c1-12-15(13(2)30-23-12)8-9-25(3)19-16(20(26)27)10-14(11-22-19)24-31(28,29)18-7-5-4-6-17(18)21/h4-7,10-11,24H,8-9H2,1-3H3,(H,26,27).

What are the key properties of 5-[(2-chlorophenyl)sulfonylamino]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid?

5-[(2-chlorophenyl)sulfonylamino]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid has a molecular weight of 464.93 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chlorophenyl)sulfonylamino]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 50766419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).