12-(benzenesulfonyl)-2-chloroquinoxalino[2,3-b][1,4]benzoxazine

C20H12ClN3O3S — CID 1040554

IUPAC12-(benzenesulfonyl)-2-chloroquinoxalino[2,3-b][1,4]benzoxazine
SMILESO=S(=O)(c1ccccc1)N1c2cc(Cl)ccc2Oc2nc3ccccc3nc21
InChIInChI=1S/C20H12ClN3O3S/c21-13-10-11-18-17(12-13)24(28(25,26)14-6-2-1-3-7-14)19-20(27-18)23-16-9-5-4-8-15(16)22-19/h1-12H
InChIKeyFYORCRPMWXGPQA-UHFFFAOYSA-N
MW409.85 g/mol
LogP4.92
Rot. Bonds2

About 12-(benzenesulfonyl)-2-chloroquinoxalino[2,3-b][1,4]benzoxazine

12-(benzenesulfonyl)-2-chloroquinoxalino[2,3-b][1,4]benzoxazine (PubChem CID 1040554) has the molecular formula C20H12ClN3O3S and a molecular weight of 409.85 g/mol. Its IUPAC name is 12-(benzenesulfonyl)-2-chloroquinoxalino[2,3-b][1,4]benzoxazine.

Molecular Properties

Compound Name12-(benzenesulfonyl)-2-chloroquinoxalino[2,3-b][1,4]benzoxazine
PubChem CID1040554
Molecular FormulaC20H12ClN3O3S
Molecular Weight409.85 g/mol
Exact Mass409.03
IUPAC Name12-(benzenesulfonyl)-2-chloroquinoxalino[2,3-b][1,4]benzoxazine
SMILESO=S(=O)(c1ccccc1)N1c2cc(Cl)ccc2Oc2nc3ccccc3nc21
InChIInChI=1S/C20H12ClN3O3S/c21-13-10-11-18-17(12-13)24(28(25,26)14-6-2-1-3-7-14)19-20(27-18)23-16-9-5-4-8-15(16)22-19/h1-12H
InChIKeyFYORCRPMWXGPQA-UHFFFAOYSA-N
XLogP4.92
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 12-(benzenesulfonyl)-2-chloroquinoxalino[2,3-b][1,4]benzoxazine?
The IUPAC name of 12-(benzenesulfonyl)-2-chloroquinoxalino[2,3-b][1,4]benzoxazine (CID 1040554) is 12-(benzenesulfonyl)-2-chloroquinoxalino[2,3-b][1,4]benzoxazine.
What is the SMILES notation for 12-(benzenesulfonyl)-2-chloroquinoxalino[2,3-b][1,4]benzoxazine?
The canonical SMILES for 12-(benzenesulfonyl)-2-chloroquinoxalino[2,3-b][1,4]benzoxazine is O=S(=O)(c1ccccc1)N1c2cc(Cl)ccc2Oc2nc3ccccc3nc21.
What is the InChIKey of 12-(benzenesulfonyl)-2-chloroquinoxalino[2,3-b][1,4]benzoxazine?
The InChIKey is FYORCRPMWXGPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN3O3S/c21-13-10-11-18-17(12-13)24(28(25,26)14-6-2-1-3-7-14)19-20(27-18)23-16-9-5-4-8-15(16)22-19/h1-12H.
What are the key properties of 12-(benzenesulfonyl)-2-chloroquinoxalino[2,3-b][1,4]benzoxazine?
12-(benzenesulfonyl)-2-chloroquinoxalino[2,3-b][1,4]benzoxazine has a molecular weight of 409.85 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(benzenesulfonyl)-2-chloroquinoxalino[2,3-b][1,4]benzoxazine is sourced from PubChem (CID 1040554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).