N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide

C30H34ClF3N4O4S — CID 23122680

About N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 23122680) has the molecular formula C30H34ClF3N4O4S and a molecular weight of 639.14 g/mol. Its IUPAC name is N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 23122680
• Molecular Formula: C30H34ClF3N4O4S
• Molecular Weight: 639.14 g/mol
• Exact Mass: 638.19
• IUPAC Name: N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
• SMILES: CN1CCC(COc2cc(COc3nc4c(cc3NS(=O)(=O)c3ccccc3C(F)(F)F)CN(C)CC4)ccc2Cl)CC1
• InChI: InChI=1S/C30H34ClF3N4O4S/c1-37-12-9-20(10-13-37)18-41-27-15-21(7-8-24(27)31)19-42-29-26(16-22-17-38(2)14-11-25(22)35-29)36-43(39,40)28-6-4-3-5-23(28)30(32,33)34/h3-8,15-16,20,36H,9-14,17-19H2,1-2H3
• InChIKey: MPKVVZGNZYRHOE-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 84.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.14
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 23122680) is N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide is CN1CCC(COc2cc(COc3nc4c(cc3NS(=O)(=O)c3ccccc3C(F)(F)F)CN(C)CC4)ccc2Cl)CC1.

What is the InChIKey of N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?

The InChIKey is MPKVVZGNZYRHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClF3N4O4S/c1-37-12-9-20(10-13-37)18-41-27-15-21(7-8-24(27)31)19-42-29-26(16-22-17-38(2)14-11-25(22)35-29)36-43(39,40)28-6-4-3-5-23(28)30(32,33)34/h3-8,15-16,20,36H,9-14,17-19H2,1-2H3.

What are the key properties of N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?

N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 639.14 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 23122680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).