6,7-dichloro-2-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-3-propan-2-ylquinoxaline

C16H18Cl2N2O4S — CID 22341180

IUPAC6,7-dichloro-2-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-3-propan-2-ylquinoxaline
SMILESCC(C)c1nc2cc(Cl)c(Cl)cc2nc1S(=O)(=O)CCC1OCCO1
InChIInChI=1S/C16H18Cl2N2O4S/c1-9(2)15-16(25(21,22)6-3-14-23-4-5-24-14)20-13-8-11(18)10(17)7-12(13)19-15/h7-9,14H,3-6H2,1-2H3
InChIKeyIEIUOUFBRNMNIE-UHFFFAOYSA-N
MW405.30 g/mol
LogP3.60
Rot. Bonds5

About 6,7-dichloro-2-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-3-propan-2-ylquinoxaline

6,7-dichloro-2-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-3-propan-2-ylquinoxaline (PubChem CID 22341180) has the molecular formula C16H18Cl2N2O4S and a molecular weight of 405.30 g/mol. Its IUPAC name is 6,7-dichloro-2-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-3-propan-2-ylquinoxaline.

Molecular Properties

Compound Name6,7-dichloro-2-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-3-propan-2-ylquinoxaline
PubChem CID22341180
Molecular FormulaC16H18Cl2N2O4S
Molecular Weight405.30 g/mol
Exact Mass404.04
IUPAC Name6,7-dichloro-2-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-3-propan-2-ylquinoxaline
SMILESCC(C)c1nc2cc(Cl)c(Cl)cc2nc1S(=O)(=O)CCC1OCCO1
InChIInChI=1S/C16H18Cl2N2O4S/c1-9(2)15-16(25(21,22)6-3-14-23-4-5-24-14)20-13-8-11(18)10(17)7-12(13)19-15/h7-9,14H,3-6H2,1-2H3
InChIKeyIEIUOUFBRNMNIE-UHFFFAOYSA-N
XLogP3.60
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-3-propan-2-ylquinoxaline?
The IUPAC name of 6,7-dichloro-2-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-3-propan-2-ylquinoxaline (CID 22341180) is 6,7-dichloro-2-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-3-propan-2-ylquinoxaline.
What is the SMILES notation for 6,7-dichloro-2-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-3-propan-2-ylquinoxaline?
The canonical SMILES for 6,7-dichloro-2-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-3-propan-2-ylquinoxaline is CC(C)c1nc2cc(Cl)c(Cl)cc2nc1S(=O)(=O)CCC1OCCO1.
What is the InChIKey of 6,7-dichloro-2-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-3-propan-2-ylquinoxaline?
The InChIKey is IEIUOUFBRNMNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O4S/c1-9(2)15-16(25(21,22)6-3-14-23-4-5-24-14)20-13-8-11(18)10(17)7-12(13)19-15/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 6,7-dichloro-2-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-3-propan-2-ylquinoxaline?
6,7-dichloro-2-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-3-propan-2-ylquinoxaline has a molecular weight of 405.30 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]-3-propan-2-ylquinoxaline is sourced from PubChem (CID 22341180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).