1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide

C26H23ClFN5O4S — CID 134262053

About 1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide

1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide (PubChem CID 134262053) has the molecular formula C26H23ClFN5O4S and a molecular weight of 556.02 g/mol. Its IUPAC name is 1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide.

Molecular Properties

• Compound Name: 1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide
• PubChem CID: 134262053
• Molecular Formula: C26H23ClFN5O4S
• Molecular Weight: 556.02 g/mol
• Exact Mass: 555.11
• IUPAC Name: 1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide
• SMILES: COc1cc(-c2ccc(Cl)c(C)c2)c(F)cc1-n1c2c(ccc1=O)CN(S(=O)(=O)Nc1ncccn1)CC2
• InChI: InChI=1S/C26H23ClFN5O4S/c1-16-12-17(4-6-20(16)27)19-13-24(37-2)23(14-21(19)28)33-22-8-11-32(15-18(22)5-7-25(33)34)38(35,36)31-26-29-9-3-10-30-26/h3-7,9-10,12-14H,8,11,15H2,1-2H3,(H,29,30,31)
• InChIKey: AZYGFPZRILMXBY-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 106.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.02
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide?

The IUPAC name of 1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide (CID 134262053) is 1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide.

What is the SMILES notation for 1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide?

The canonical SMILES for 1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide is COc1cc(-c2ccc(Cl)c(C)c2)c(F)cc1-n1c2c(ccc1=O)CN(S(=O)(=O)Nc1ncccn1)CC2.

What is the InChIKey of 1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide?

The InChIKey is AZYGFPZRILMXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5O4S/c1-16-12-17(4-6-20(16)27)19-13-24(37-2)23(14-21(19)28)33-22-8-11-32(15-18(22)5-7-25(33)34)38(35,36)31-26-29-9-3-10-30-26/h3-7,9-10,12-14H,8,11,15H2,1-2H3,(H,29,30,31).

What are the key properties of 1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide?

1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide has a molecular weight of 556.02 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide is sourced from PubChem (CID 134262053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).