2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine

C21H14ClN3O4S — CID 1211576

IUPAC2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine
SMILESCOc1ccc(S(=O)(=O)N2c3cc(Cl)ccc3Oc3nc4ccccc4nc32)cc1
InChIInChI=1S/C21H14ClN3O4S/c1-28-14-7-9-15(10-8-14)30(26,27)25-18-12-13(22)6-11-19(18)29-21-20(25)23-16-4-2-3-5-17(16)24-21/h2-12H,1H3
InChIKeyNOINQIQOKCGVPO-UHFFFAOYSA-N
MW439.88 g/mol
LogP4.92
Rot. Bonds3

About 2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine

2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine (PubChem CID 1211576) has the molecular formula C21H14ClN3O4S and a molecular weight of 439.88 g/mol. Its IUPAC name is 2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine.

Molecular Properties

Compound Name2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine
PubChem CID1211576
Molecular FormulaC21H14ClN3O4S
Molecular Weight439.88 g/mol
Exact Mass439.04
IUPAC Name2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine
SMILESCOc1ccc(S(=O)(=O)N2c3cc(Cl)ccc3Oc3nc4ccccc4nc32)cc1
InChIInChI=1S/C21H14ClN3O4S/c1-28-14-7-9-15(10-8-14)30(26,27)25-18-12-13(22)6-11-19(18)29-21-20(25)23-16-4-2-3-5-17(16)24-21/h2-12H,1H3
InChIKeyNOINQIQOKCGVPO-UHFFFAOYSA-N
XLogP4.92
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.88
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine?
The IUPAC name of 2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine (CID 1211576) is 2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine.
What is the SMILES notation for 2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine?
The canonical SMILES for 2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine is COc1ccc(S(=O)(=O)N2c3cc(Cl)ccc3Oc3nc4ccccc4nc32)cc1.
What is the InChIKey of 2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine?
The InChIKey is NOINQIQOKCGVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O4S/c1-28-14-7-9-15(10-8-14)30(26,27)25-18-12-13(22)6-11-19(18)29-21-20(25)23-16-4-2-3-5-17(16)24-21/h2-12H,1H3.
What are the key properties of 2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine?
2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine has a molecular weight of 439.88 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine is sourced from PubChem (CID 1211576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).