3-chloro-N-[3-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-2-yl]-2-methylbenzenesulfonamide

C29H30Cl2N4O4S — CID 23122426

About 3-chloro-N-[3-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-2-yl]-2-methylbenzenesulfonamide

3-chloro-N-[3-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-2-yl]-2-methylbenzenesulfonamide (PubChem CID 23122426) has the molecular formula C29H30Cl2N4O4S and a molecular weight of 601.56 g/mol. Its IUPAC name is 3-chloro-N-[3-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: 3-chloro-N-[3-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-2-yl]-2-methylbenzenesulfonamide
• PubChem CID: 23122426
• Molecular Formula: C29H30Cl2N4O4S
• Molecular Weight: 601.56 g/mol
• Exact Mass: 600.14
• IUPAC Name: 3-chloro-N-[3-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-2-yl]-2-methylbenzenesulfonamide
• SMILES: Cc1c(Cl)cccc1S(=O)(=O)Nc1nc2ccncc2cc1OCc1ccc(Cl)c(OCC2CCN(C)CC2)c1
• InChI: InChI=1S/C29H30Cl2N4O4S/c1-19-23(30)4-3-5-28(19)40(36,37)34-29-27(15-22-16-32-11-8-25(22)33-29)39-18-21-6-7-24(31)26(14-21)38-17-20-9-12-35(2)13-10-20/h3-8,11,14-16,20H,9-10,12-13,17-18H2,1-2H3,(H,33,34)
• InChIKey: CGEJXRAHWMLRJT-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 93.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.56
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-2-yl]-2-methylbenzenesulfonamide?

The IUPAC name of 3-chloro-N-[3-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-2-yl]-2-methylbenzenesulfonamide (CID 23122426) is 3-chloro-N-[3-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-2-yl]-2-methylbenzenesulfonamide.

What is the SMILES notation for 3-chloro-N-[3-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-2-yl]-2-methylbenzenesulfonamide?

The canonical SMILES for 3-chloro-N-[3-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-2-yl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc2ccncc2cc1OCc1ccc(Cl)c(OCC2CCN(C)CC2)c1.

What is the InChIKey of 3-chloro-N-[3-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-2-yl]-2-methylbenzenesulfonamide?

The InChIKey is CGEJXRAHWMLRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30Cl2N4O4S/c1-19-23(30)4-3-5-28(19)40(36,37)34-29-27(15-22-16-32-11-8-25(22)33-29)39-18-21-6-7-24(31)26(14-21)38-17-20-9-12-35(2)13-10-20/h3-8,11,14-16,20H,9-10,12-13,17-18H2,1-2H3,(H,33,34).

What are the key properties of 3-chloro-N-[3-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-2-yl]-2-methylbenzenesulfonamide?

3-chloro-N-[3-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 601.56 g/mol, XLogP of 6.35, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[3-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-1,6-naphthyridin-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 23122426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).