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

C24H21ClN4O4S — CID 23122462

IUPAC2-chloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]quinoxalin-2-yl]benzenesulfonamide
SMILESCN1CCOc2cc(COc3nc4ccccc4nc3NS(=O)(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C24H21ClN4O4S/c1-29-12-13-32-21-14-16(10-11-20(21)29)15-33-24-23(26-18-7-3-4-8-19(18)27-24)28-34(30,31)22-9-5-2-6-17(22)25/h2-11,14H,12-13,15H2,1H3,(H,26,28)
InChIKeyVNYKTAMLVHHCRL-UHFFFAOYSA-N
MW496.98 g/mol
LogP4.49
Rot. Bonds6

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

2-chloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 23122462) has the molecular formula C24H21ClN4O4S and a molecular weight of 496.98 g/mol. Its IUPAC name is 2-chloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]quinoxalin-2-yl]benzenesulfonamide
PubChem CID23122462
Molecular FormulaC24H21ClN4O4S
Molecular Weight496.98 g/mol
Exact Mass496.10
IUPAC Name2-chloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]quinoxalin-2-yl]benzenesulfonamide
SMILESCN1CCOc2cc(COc3nc4ccccc4nc3NS(=O)(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C24H21ClN4O4S/c1-29-12-13-32-21-14-16(10-11-20(21)29)15-33-24-23(26-18-7-3-4-8-19(18)27-24)28-34(30,31)22-9-5-2-6-17(22)25/h2-11,14H,12-13,15H2,1H3,(H,26,28)
InChIKeyVNYKTAMLVHHCRL-UHFFFAOYSA-N
XLogP4.49
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.98
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]quinoxalin-2-yl]benzenesulfonamide (CID 23122462) is 2-chloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]quinoxalin-2-yl]benzenesulfonamide is CN1CCOc2cc(COc3nc4ccccc4nc3NS(=O)(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of 2-chloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is VNYKTAMLVHHCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4S/c1-29-12-13-32-21-14-16(10-11-20(21)29)15-33-24-23(26-18-7-3-4-8-19(18)27-24)28-34(30,31)22-9-5-2-6-17(22)25/h2-11,14H,12-13,15H2,1H3,(H,26,28).
What are the key properties of 2-chloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]quinoxalin-2-yl]benzenesulfonamide?
2-chloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 496.98 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23122462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).