6-(3,5-dichlorophenyl)sulfonyl-4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide

C24H23Cl2N3O3S — CID 174205284

About 6-(3,5-dichlorophenyl)sulfonyl-4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide

6-(3,5-dichlorophenyl)sulfonyl-4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide (PubChem CID 174205284) has the molecular formula C24H23Cl2N3O3S and a molecular weight of 504.44 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)sulfonyl-4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3,5-dichlorophenyl)sulfonyl-4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
• PubChem CID: 174205284
• Molecular Formula: C24H23Cl2N3O3S
• Molecular Weight: 504.44 g/mol
• Exact Mass: 503.08
• IUPAC Name: 6-(3,5-dichlorophenyl)sulfonyl-4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
• SMILES: CN(C)c1cc(S(=O)(=O)c2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCCc2ccccc21
• InChI: InChI=1S/C24H23Cl2N3O3S/c1-29(2)22-13-23(33(31,32)18-11-16(25)10-17(26)12-18)27-14-20(22)24(30)28-21-9-5-7-15-6-3-4-8-19(15)21/h3-4,6,8,10-14,21H,5,7,9H2,1-2H3,(H,28,30)
• InChIKey: CPMPCOLAXSPPJP-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.44
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)sulfonyl-4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide?

The IUPAC name of 6-(3,5-dichlorophenyl)sulfonyl-4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide (CID 174205284) is 6-(3,5-dichlorophenyl)sulfonyl-4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-(3,5-dichlorophenyl)sulfonyl-4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-(3,5-dichlorophenyl)sulfonyl-4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide is CN(C)c1cc(S(=O)(=O)c2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCCc2ccccc21.

What is the InChIKey of 6-(3,5-dichlorophenyl)sulfonyl-4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide?

The InChIKey is CPMPCOLAXSPPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O3S/c1-29(2)22-13-23(33(31,32)18-11-16(25)10-17(26)12-18)27-14-20(22)24(30)28-21-9-5-7-15-6-3-4-8-19(15)21/h3-4,6,8,10-14,21H,5,7,9H2,1-2H3,(H,28,30).

What are the key properties of 6-(3,5-dichlorophenyl)sulfonyl-4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide?

6-(3,5-dichlorophenyl)sulfonyl-4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide has a molecular weight of 504.44 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dichlorophenyl)sulfonyl-4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 174205284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).