1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide;1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-2-one;N-[(4-methoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)imidazole-1-sulfonamide

C58H49Cl2F4N11O9S4 — CID 161263462

About 1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide;1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-2-one;N-[(4-methoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)imidazole-1-sulfonamide

1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide;1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-2-one;N-[(4-methoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)imidazole-1-sulfonamide (PubChem CID 161263462) has the molecular formula C58H49Cl2F4N11O9S4 and a molecular weight of 1319.26 g/mol. Its IUPAC name is 1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide;1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-2-one;N-[(4-methoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)imidazole-1-sulfonamide.

Molecular Properties

• Compound Name: 1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide;1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-2-one;N-[(4-methoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)imidazole-1-sulfonamide
• PubChem CID: 161263462
• Molecular Formula: C58H49Cl2F4N11O9S4
• Molecular Weight: 1319.26 g/mol
• Exact Mass: 1317.19
• IUPAC Name: 1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide;1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-2-one;N-[(4-methoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)imidazole-1-sulfonamide
• SMILES: COc1cc(-c2cc(F)cc(Cl)c2)c(F)cc1-n1c2c(ccc1=O)CCCC2.COc1cc(-c2cc(F)cc(Cl)c2)c(F)cc1-n1c2c(ccc1=O)CN(S(=O)(=O)Nc1ncns1)CC2.COc1ccc(CN(c2ncns2)S(=O)(=O)n2ccnc2)cc1
• InChI: InChI=1S/C23H18ClF2N5O4S2.C22H18ClF2NO2.C13H13N5O3S2/c1-35-21-9-17(14-6-15(24)8-16(25)7-14)18(26)10-20(21)31-19-4-5-30(11-13(19)2-3-22(31)32)37(33,34)29-23-27-12-28-36-23;1-28-21-11-17(14-8-15(23)10-16(24)9-14)18(25)12-20(21)26-19-5-3-2-4-13(19)6-7-22(26)27;1-21-12-4-2-11(3-5-12)8-18(13-15-9-16-22-13)23(19,20)17-7-6-14-10-17/h2-3,6-10,12H,4-5,11H2,1H3,(H,27,28,29);6-12H,2-5H2,1H3;2-7,9-10H,8H2,1H3
• InChIKey: VCWDEMHLODQXNP-UHFFFAOYSA-N
• XLogP: 10.88
• TPSA: 227.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1319.26
LogP ≤ 5	10.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide;1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-2-one;N-[(4-methoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)imidazole-1-sulfonamide?

The IUPAC name of 1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide;1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-2-one;N-[(4-methoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)imidazole-1-sulfonamide (CID 161263462) is 1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide;1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-2-one;N-[(4-methoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)imidazole-1-sulfonamide.

What is the SMILES notation for 1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide;1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-2-one;N-[(4-methoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)imidazole-1-sulfonamide?

The canonical SMILES for 1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide;1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-2-one;N-[(4-methoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)imidazole-1-sulfonamide is COc1cc(-c2cc(F)cc(Cl)c2)c(F)cc1-n1c2c(ccc1=O)CCCC2.COc1cc(-c2cc(F)cc(Cl)c2)c(F)cc1-n1c2c(ccc1=O)CN(S(=O)(=O)Nc1ncns1)CC2.COc1ccc(CN(c2ncns2)S(=O)(=O)n2ccnc2)cc1.

What is the InChIKey of 1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide;1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-2-one;N-[(4-methoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)imidazole-1-sulfonamide?

The InChIKey is VCWDEMHLODQXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N5O4S2.C22H18ClF2NO2.C13H13N5O3S2/c1-35-21-9-17(14-6-15(24)8-16(25)7-14)18(26)10-20(21)31-19-4-5-30(11-13(19)2-3-22(31)32)37(33,34)29-23-27-12-28-36-23;1-28-21-11-17(14-8-15(23)10-16(24)9-14)18(25)12-20(21)26-19-5-3-2-4-13(19)6-7-22(26)27;1-21-12-4-2-11(3-5-12)8-18(13-15-9-16-22-13)23(19,20)17-7-6-14-10-17/h2-3,6-10,12H,4-5,11H2,1H3,(H,27,28,29);6-12H,2-5H2,1H3;2-7,9-10H,8H2,1H3.

What are the key properties of 1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide;1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-2-one;N-[(4-methoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)imidazole-1-sulfonamide?

1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide;1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-2-one;N-[(4-methoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)imidazole-1-sulfonamide has a molecular weight of 1319.26 g/mol, XLogP of 10.88, 15 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-(1,2,4-thiadiazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide;1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-2-one;N-[(4-methoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)imidazole-1-sulfonamide is sourced from PubChem (CID 161263462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).