3-chloro-N-[8-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-2-methylbenzenesulfonamide

C26H29Cl2N3O5S — CID 23122430

About 3-chloro-N-[8-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-2-methylbenzenesulfonamide

3-chloro-N-[8-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-2-methylbenzenesulfonamide (PubChem CID 23122430) has the molecular formula C26H29Cl2N3O5S and a molecular weight of 566.51 g/mol. Its IUPAC name is 3-chloro-N-[8-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-2-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: 3-chloro-N-[8-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-2-methylbenzenesulfonamide
• PubChem CID: 23122430
• Molecular Formula: C26H29Cl2N3O5S
• Molecular Weight: 566.51 g/mol
• Exact Mass: 565.12
• IUPAC Name: 3-chloro-N-[8-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-2-methylbenzenesulfonamide
• SMILES: Cc1c(Cl)cccc1S(=O)(=O)Nc1ncc2c(c1OCc1ccc(Cl)c(OCCN(C)C)c1)OCCC2
• InChI: InChI=1S/C26H29Cl2N3O5S/c1-17-20(27)7-4-8-23(17)37(32,33)30-26-25(24-19(15-29-26)6-5-12-35-24)36-16-18-9-10-21(28)22(14-18)34-13-11-31(2)3/h4,7-10,14-15H,5-6,11-13,16H2,1-3H3,(H,29,30)
• InChIKey: LNHIISXVAWLKGO-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 89.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.51
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[8-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-2-methylbenzenesulfonamide?

The IUPAC name of 3-chloro-N-[8-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-2-methylbenzenesulfonamide (CID 23122430) is 3-chloro-N-[8-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-2-methylbenzenesulfonamide.

What is the SMILES notation for 3-chloro-N-[8-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-2-methylbenzenesulfonamide?

The canonical SMILES for 3-chloro-N-[8-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ncc2c(c1OCc1ccc(Cl)c(OCCN(C)C)c1)OCCC2.

What is the InChIKey of 3-chloro-N-[8-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-2-methylbenzenesulfonamide?

The InChIKey is LNHIISXVAWLKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Cl2N3O5S/c1-17-20(27)7-4-8-23(17)37(32,33)30-26-25(24-19(15-29-26)6-5-12-35-24)36-16-18-9-10-21(28)22(14-18)34-13-11-31(2)3/h4,7-10,14-15H,5-6,11-13,16H2,1-3H3,(H,29,30).

What are the key properties of 3-chloro-N-[8-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-2-methylbenzenesulfonamide?

3-chloro-N-[8-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-2-methylbenzenesulfonamide has a molecular weight of 566.51 g/mol, XLogP of 5.34, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[8-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 23122430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).