4-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]-2-fluorobenzenesulfonamide;(2-chloroacetyl) 2-chloroacetate;4-[[2-(chloromethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]-2-fluorobenzenesulfonamide;2-fluoro-4-[[2-(methoxymethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]benzenesulfonamide;methane

C59H61Cl3F3N15O10S3 — CID 164989212

About 4-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]-2-fluorobenzenesulfonamide;(2-chloroacetyl) 2-chloroacetate;4-[[2-(chloromethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]-2-fluorobenzenesulfonamide;2-fluoro-4-[[2-(methoxymethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]benzenesulfonamide;methane

4-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]-2-fluorobenzenesulfonamide;(2-chloroacetyl) 2-chloroacetate;4-[[2-(chloromethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]-2-fluorobenzenesulfonamide;2-fluoro-4-[[2-(methoxymethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]benzenesulfonamide;methane (PubChem CID 164989212) has the molecular formula C59H61Cl3F3N15O10S3 and a molecular weight of 1399.79 g/mol. Its IUPAC name is 4-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]-2-fluorobenzenesulfonamide;(2-chloroacetyl) 2-chloroacetate;4-[[2-(chloromethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]-2-fluorobenzenesulfonamide;2-fluoro-4-[[2-(methoxymethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]benzenesulfonamide;methane.

Molecular Properties

• Compound Name: 4-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]-2-fluorobenzenesulfonamide;(2-chloroacetyl) 2-chloroacetate;4-[[2-(chloromethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]-2-fluorobenzenesulfonamide;2-fluoro-4-[[2-(methoxymethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]benzenesulfonamide;methane
• PubChem CID: 164989212
• Molecular Formula: C59H61Cl3F3N15O10S3
• Molecular Weight: 1399.79 g/mol
• Exact Mass: 1397.29
• IUPAC Name: 4-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]-2-fluorobenzenesulfonamide;(2-chloroacetyl) 2-chloroacetate;4-[[2-(chloromethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]-2-fluorobenzenesulfonamide;2-fluoro-4-[[2-(methoxymethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]benzenesulfonamide;methane
• SMILES: C.C.COCc1nc2cnc3nc(C)ccc3c2n1Cc1ccc(S(N)(=O)=O)c(F)c1.Cc1ccc2c(NCc3ccc(S(N)(=O)=O)c(F)c3)c(N)cnc2n1.Cc1ccc2c(ncc3nc(CCl)n(Cc4ccc(S(N)(=O)=O)c(F)c4)c32)n1.O=C(CCl)OC(=O)CCl
• InChI: InChI=1S/C19H18FN5O3S.C18H15ClFN5O2S.C16H16FN5O2S.C4H4Cl2O3.2CH4/c1-11-3-5-13-18-15(8-22-19(13)23-11)24-17(10-28-2)25(18)9-12-4-6-16(14(20)7-12)29(21,26)27;1-10-2-4-12-17-14(8-22-18(12)23-10)24-16(7-19)25(17)9-11-3-5-15(13(20)6-11)28(21,26)27;1-9-2-4-11-15(13(18)8-21-16(11)22-9)20-7-10-3-5-14(12(17)6-10)25(19,23)24;5-1-3(7)9-4(8)2-6;;/h3-8H,9-10H2,1-2H3,(H2,21,26,27);2-6,8H,7,9H2,1H3,(H2,21,26,27);2-6,8H,7,18H2,1H3,(H2,19,23,24)(H,20,21,22);1-2H2;2*1H4
• InChIKey: GPOUSDJXAQXCIK-UHFFFAOYSA-N
• XLogP: 8.86
• TPSA: 384.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1399.79
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]-2-fluorobenzenesulfonamide;(2-chloroacetyl) 2-chloroacetate;4-[[2-(chloromethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]-2-fluorobenzenesulfonamide;2-fluoro-4-[[2-(methoxymethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]benzenesulfonamide;methane?

The IUPAC name of 4-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]-2-fluorobenzenesulfonamide;(2-chloroacetyl) 2-chloroacetate;4-[[2-(chloromethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]-2-fluorobenzenesulfonamide;2-fluoro-4-[[2-(methoxymethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]benzenesulfonamide;methane (CID 164989212) is 4-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]-2-fluorobenzenesulfonamide;(2-chloroacetyl) 2-chloroacetate;4-[[2-(chloromethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]-2-fluorobenzenesulfonamide;2-fluoro-4-[[2-(methoxymethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]benzenesulfonamide;methane.

What is the SMILES notation for 4-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]-2-fluorobenzenesulfonamide;(2-chloroacetyl) 2-chloroacetate;4-[[2-(chloromethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]-2-fluorobenzenesulfonamide;2-fluoro-4-[[2-(methoxymethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]benzenesulfonamide;methane?

The canonical SMILES for 4-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]-2-fluorobenzenesulfonamide;(2-chloroacetyl) 2-chloroacetate;4-[[2-(chloromethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]-2-fluorobenzenesulfonamide;2-fluoro-4-[[2-(methoxymethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]benzenesulfonamide;methane is C.C.COCc1nc2cnc3nc(C)ccc3c2n1Cc1ccc(S(N)(=O)=O)c(F)c1.Cc1ccc2c(NCc3ccc(S(N)(=O)=O)c(F)c3)c(N)cnc2n1.Cc1ccc2c(ncc3nc(CCl)n(Cc4ccc(S(N)(=O)=O)c(F)c4)c32)n1.O=C(CCl)OC(=O)CCl.

What is the InChIKey of 4-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]-2-fluorobenzenesulfonamide;(2-chloroacetyl) 2-chloroacetate;4-[[2-(chloromethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]-2-fluorobenzenesulfonamide;2-fluoro-4-[[2-(methoxymethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]benzenesulfonamide;methane?

The InChIKey is GPOUSDJXAQXCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3S.C18H15ClFN5O2S.C16H16FN5O2S.C4H4Cl2O3.2CH4/c1-11-3-5-13-18-15(8-22-19(13)23-11)24-17(10-28-2)25(18)9-12-4-6-16(14(20)7-12)29(21,26)27;1-10-2-4-12-17-14(8-22-18(12)23-10)24-16(7-19)25(17)9-11-3-5-15(13(20)6-11)28(21,26)27;1-9-2-4-11-15(13(18)8-21-16(11)22-9)20-7-10-3-5-14(12(17)6-10)25(19,23)24;5-1-3(7)9-4(8)2-6;;/h3-8H,9-10H2,1-2H3,(H2,21,26,27);2-6,8H,7,9H2,1H3,(H2,21,26,27);2-6,8H,7,18H2,1H3,(H2,19,23,24)(H,20,21,22);1-2H2;2*1H4.

What are the key properties of 4-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]-2-fluorobenzenesulfonamide;(2-chloroacetyl) 2-chloroacetate;4-[[2-(chloromethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]-2-fluorobenzenesulfonamide;2-fluoro-4-[[2-(methoxymethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]benzenesulfonamide;methane?

4-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]-2-fluorobenzenesulfonamide;(2-chloroacetyl) 2-chloroacetate;4-[[2-(chloromethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]-2-fluorobenzenesulfonamide;2-fluoro-4-[[2-(methoxymethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]benzenesulfonamide;methane has a molecular weight of 1399.79 g/mol, XLogP of 8.86, 15 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(3-amino-7-methyl-1,8-naphthyridin-4-yl)amino]methyl]-2-fluorobenzenesulfonamide;(2-chloroacetyl) 2-chloroacetate;4-[[2-(chloromethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]-2-fluorobenzenesulfonamide;2-fluoro-4-[[2-(methoxymethyl)-7-methylimidazo[4,5-c][1,8]naphthyridin-1-yl]methyl]benzenesulfonamide;methane is sourced from PubChem (CID 164989212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).