2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide

C24H24Cl2N4O4S — CID 23122768

IUPAC2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide
SMILESCN1CCOc2cc(COc3nc4c(nc3NS(=O)(=O)c3cccc(Cl)c3Cl)CCCC4)ccc21
InChIInChI=1S/C24H24Cl2N4O4S/c1-30-11-12-33-20-13-15(9-10-19(20)30)14-34-24-23(27-17-6-2-3-7-18(17)28-24)29-35(31,32)21-8-4-5-16(25)22(21)26/h4-5,8-10,13H,2-3,6-7,11-12,14H2,1H3,(H,27,29)
InChIKeyONCDMWBKMGYBBL-UHFFFAOYSA-N
MW535.45 g/mol
LogP4.87
Rot. Bonds6

About 2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide

2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide (PubChem CID 23122768) has the molecular formula C24H24Cl2N4O4S and a molecular weight of 535.45 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide
PubChem CID23122768
Molecular FormulaC24H24Cl2N4O4S
Molecular Weight535.45 g/mol
Exact Mass534.09
IUPAC Name2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide
SMILESCN1CCOc2cc(COc3nc4c(nc3NS(=O)(=O)c3cccc(Cl)c3Cl)CCCC4)ccc21
InChIInChI=1S/C24H24Cl2N4O4S/c1-30-11-12-33-20-13-15(9-10-19(20)30)14-34-24-23(27-17-6-2-3-7-18(17)28-24)29-35(31,32)21-8-4-5-16(25)22(21)26/h4-5,8-10,13H,2-3,6-7,11-12,14H2,1H3,(H,27,29)
InChIKeyONCDMWBKMGYBBL-UHFFFAOYSA-N
XLogP4.87
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide (CID 23122768) is 2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide is CN1CCOc2cc(COc3nc4c(nc3NS(=O)(=O)c3cccc(Cl)c3Cl)CCCC4)ccc21.
What is the InChIKey of 2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide?
The InChIKey is ONCDMWBKMGYBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O4S/c1-30-11-12-33-20-13-15(9-10-19(20)30)14-34-24-23(27-17-6-2-3-7-18(17)28-24)29-35(31,32)21-8-4-5-16(25)22(21)26/h4-5,8-10,13H,2-3,6-7,11-12,14H2,1H3,(H,27,29).
What are the key properties of 2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide?
2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide has a molecular weight of 535.45 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[3-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-5,6,7,8-tetrahydroquinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23122768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).