(2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline

C22H20N2O4S2 — CID 10717950

IUPAC(2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline
SMILESC=C[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20N2O4S2/c1-2-18-17-23(29(25,26)19-11-5-3-6-12-19)21-15-9-10-16-22(21)24(18)30(27,28)20-13-7-4-8-14-20/h2-16,18H,1,17H2/t18-/m1/s1
InChIKeyQJSBCMZNWFLSAO-GOSISDBHSA-N
MW440.55 g/mol
LogP3.65
Rot. Bonds5

About (2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline

(2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline (PubChem CID 10717950) has the molecular formula C22H20N2O4S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is (2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name(2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline
PubChem CID10717950
Molecular FormulaC22H20N2O4S2
Molecular Weight440.55 g/mol
Exact Mass440.09
IUPAC Name(2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline
SMILESC=C[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20N2O4S2/c1-2-18-17-23(29(25,26)19-11-5-3-6-12-19)21-15-9-10-16-22(21)24(18)30(27,28)20-13-7-4-8-14-20/h2-16,18H,1,17H2/t18-/m1/s1
InChIKeyQJSBCMZNWFLSAO-GOSISDBHSA-N
XLogP3.65
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethenyl-1,4-bis-(4-methylphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 10790460
1-(benzenesulfonyl)-4-ethenylimidazolidin-2-one
CID 71422035
methyl (2R)-1,4-bis-(4-methylphenyl)sulfonyl-2,3-dihydroquinoxaline-2-carboxylate
CID 134935183
1-(benzenesulfonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 126480885
(2S,3S)-1-(benzenesulfonyl)-4-ethenyl-2-methyl-3-phenylpyrrolidine
CID 11034796
(4S,6R)-2,8-bis-(4-methylphenyl)sulfonyl-5-oxa-2,8-diazatricyclo[7.4.0.04,6]trideca-1(13),9,11-triene
CID 102589599
(2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole
CID 92533105
3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane
CID 77427931
[1,4-bis(benzenesulfonyl)-7-chloro-2,3-dihydroquinoxalin-2-yl]methyl-tri(propan-2-yl)silane
CID 101388216
(2R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
CID 96538065
4-(benzenesulfonyl)-N-(3-prop-2-enoxyphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 53096516
[4-(benzenesulfonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-pyrrolidin-1-ylmethanone
CID 53280659

Frequently Asked Questions

What is the IUPAC name of (2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline?
The IUPAC name of (2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline (CID 10717950) is (2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline.
What is the SMILES notation for (2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline?
The canonical SMILES for (2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline is C=C[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2N1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline?
The InChIKey is QJSBCMZNWFLSAO-GOSISDBHSA-N. The full InChI is InChI=1S/C22H20N2O4S2/c1-2-18-17-23(29(25,26)19-11-5-3-6-12-19)21-15-9-10-16-22(21)24(18)30(27,28)20-13-7-4-8-14-20/h2-16,18H,1,17H2/t18-/m1/s1.
What are the key properties of (2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline?
(2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline has a molecular weight of 440.55 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,4-bis(benzenesulfonyl)-2-ethenyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 10717950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).