2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide

C28H29F2N5O4S — CID 135197569

About 2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 135197569) has the molecular formula C28H29F2N5O4S and a molecular weight of 569.63 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
• PubChem CID: 135197569
• Molecular Formula: C28H29F2N5O4S
• Molecular Weight: 569.63 g/mol
• Exact Mass: 569.19
• IUPAC Name: 2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
• SMILES: COc1ncc(-c2cc(OCC3CCN(C)CC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
• InChI: InChI=1S/C28H29F2N5O4S/c1-17-22-10-19(12-25(27(22)33-16-32-17)39-15-18-6-8-35(2)9-7-18)20-11-24(28(38-3)31-14-20)34-40(36,37)26-5-4-21(29)13-23(26)30/h4-5,10-14,16,18,34H,6-9,15H2,1-3H3
• InChIKey: IGXAFEIHWNLFBZ-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 106.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.63
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide?

The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 135197569) is 2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide.

What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide?

The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2cc(OCC3CCN(C)CC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.

What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide?

The InChIKey is IGXAFEIHWNLFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N5O4S/c1-17-22-10-19(12-25(27(22)33-16-32-17)39-15-18-6-8-35(2)9-7-18)20-11-24(28(38-3)31-14-20)34-40(36,37)26-5-4-21(29)13-23(26)30/h4-5,10-14,16,18,34H,6-9,15H2,1-3H3.

What are the key properties of 2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide?

2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 569.63 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 135197569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).