2-[benzyl(methyl)amino]-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid

C20H18ClN3O4S — CID 53024614

IUPAC2-[benzyl(methyl)amino]-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccccc2Cl)cc1C(=O)O
InChIInChI=1S/C20H18ClN3O4S/c1-24(13-14-7-3-2-4-8-14)19-16(20(25)26)11-15(12-22-19)23-29(27,28)18-10-6-5-9-17(18)21/h2-12,23H,13H2,1H3,(H,25,26)
InChIKeyHHYPOIKFFWGZIW-UHFFFAOYSA-N
MW431.90 g/mol
LogP3.87
Rot. Bonds7

About 2-[benzyl(methyl)amino]-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid

2-[benzyl(methyl)amino]-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 53024614) has the molecular formula C20H18ClN3O4S and a molecular weight of 431.90 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID53024614
Molecular FormulaC20H18ClN3O4S
Molecular Weight431.90 g/mol
Exact Mass431.07
IUPAC Name2-[benzyl(methyl)amino]-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccccc2Cl)cc1C(=O)O
InChIInChI=1S/C20H18ClN3O4S/c1-24(13-14-7-3-2-4-8-14)19-16(20(25)26)11-15(12-22-19)23-29(27,28)18-10-6-5-9-17(18)21/h2-12,23H,13H2,1H3,(H,25,26)
InChIKeyHHYPOIKFFWGZIW-UHFFFAOYSA-N
XLogP3.87
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[benzyl(methyl)amino]-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 53024614) is 2-[benzyl(methyl)amino]-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[benzyl(methyl)amino]-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[benzyl(methyl)amino]-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid is CN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccccc2Cl)cc1C(=O)O.
What is the InChIKey of 2-[benzyl(methyl)amino]-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is HHYPOIKFFWGZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4S/c1-24(13-14-7-3-2-4-8-14)19-16(20(25)26)11-15(12-22-19)23-29(27,28)18-10-6-5-9-17(18)21/h2-12,23H,13H2,1H3,(H,25,26).
What are the key properties of 2-[benzyl(methyl)amino]-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
2-[benzyl(methyl)amino]-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 431.90 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53024614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).