3-chloro-2-methyl-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide

C24H22ClN5O4S — CID 23122473

About 3-chloro-2-methyl-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide

3-chloro-2-methyl-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide (PubChem CID 23122473) has the molecular formula C24H22ClN5O4S and a molecular weight of 511.99 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 3-chloro-2-methyl-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide
• PubChem CID: 23122473
• Molecular Formula: C24H22ClN5O4S
• Molecular Weight: 511.99 g/mol
• Exact Mass: 511.11
• IUPAC Name: 3-chloro-2-methyl-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide
• SMILES: Cc1c(Cl)cccc1S(=O)(=O)Nc1nc2ccncc2nc1OCc1ccc2c(c1)OCCN2C
• InChI: InChI=1S/C24H22ClN5O4S/c1-15-17(25)4-3-5-22(15)35(31,32)29-23-24(28-19-13-26-9-8-18(19)27-23)34-14-16-6-7-20-21(12-16)33-11-10-30(20)2/h3-9,12-13H,10-11,14H2,1-2H3,(H,27,29)
• InChIKey: VQYDEDYFPZZZEE-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 106.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.99
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide?

The IUPAC name of 3-chloro-2-methyl-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide (CID 23122473) is 3-chloro-2-methyl-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide.

What is the SMILES notation for 3-chloro-2-methyl-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide?

The canonical SMILES for 3-chloro-2-methyl-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc2ccncc2nc1OCc1ccc2c(c1)OCCN2C.

What is the InChIKey of 3-chloro-2-methyl-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide?

The InChIKey is VQYDEDYFPZZZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O4S/c1-15-17(25)4-3-5-22(15)35(31,32)29-23-24(28-19-13-26-9-8-18(19)27-23)34-14-16-6-7-20-21(12-16)33-11-10-30(20)2/h3-9,12-13H,10-11,14H2,1-2H3,(H,27,29).

What are the key properties of 3-chloro-2-methyl-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide?

3-chloro-2-methyl-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide has a molecular weight of 511.99 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-2-methyl-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23122473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).