2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide

C40H40Cl2N8O11S2 — CID 159366215

About 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide

2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide (PubChem CID 159366215) has the molecular formula C40H40Cl2N8O11S2 and a molecular weight of 943.84 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide.

Molecular Properties

• Compound Name: 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide
• PubChem CID: 159366215
• Molecular Formula: C40H40Cl2N8O11S2
• Molecular Weight: 943.84 g/mol
• Exact Mass: 942.16
• IUPAC Name: 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide
• SMILES: CC1(COc2ccn(-c3ccc(C(=O)NS(=O)(=O)c4ccccc4O)c(Cl)n3)n2)CC1.CC1(COc2ccn(-c3ccc(C(=O)O)c(Cl)n3)n2)CC1.NS(=O)(=O)c1ccccc1O
• InChI: InChI=1S/C20H19ClN4O5S.C14H14ClN3O3.C6H7NO3S/c1-20(9-10-20)12-30-17-8-11-25(23-17)16-7-6-13(18(21)22-16)19(27)24-31(28,29)15-5-3-2-4-14(15)26;1-14(5-6-14)8-21-11-4-7-18(17-11)10-3-2-9(13(19)20)12(15)16-10;7-11(9,10)6-4-2-1-3-5(6)8/h2-8,11,26H,9-10,12H2,1H3,(H,24,27);2-4,7H,5-6,8H2,1H3,(H,19,20);1-4,8H,(H2,7,9,10)
• InChIKey: LJDTUOSWDZDYFN-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 281.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	943.84
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide?

The IUPAC name of 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide (CID 159366215) is 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide.

What is the SMILES notation for 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide?

The canonical SMILES for 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide is CC1(COc2ccn(-c3ccc(C(=O)NS(=O)(=O)c4ccccc4O)c(Cl)n3)n2)CC1.CC1(COc2ccn(-c3ccc(C(=O)O)c(Cl)n3)n2)CC1.NS(=O)(=O)c1ccccc1O.

What is the InChIKey of 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide?

The InChIKey is LJDTUOSWDZDYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O5S.C14H14ClN3O3.C6H7NO3S/c1-20(9-10-20)12-30-17-8-11-25(23-17)16-7-6-13(18(21)22-16)19(27)24-31(28,29)15-5-3-2-4-14(15)26;1-14(5-6-14)8-21-11-4-7-18(17-11)10-3-2-9(13(19)20)12(15)16-10;7-11(9,10)6-4-2-1-3-5(6)8/h2-8,11,26H,9-10,12H2,1H3,(H,24,27);2-4,7H,5-6,8H2,1H3,(H,19,20);1-4,8H,(H2,7,9,10).

What are the key properties of 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide?

2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide has a molecular weight of 943.84 g/mol, XLogP of 5.76, 13 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(2-hydroxyphenyl)sulfonyl-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;2-hydroxybenzenesulfonamide is sourced from PubChem (CID 159366215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).