2-(benzenesulfonyl)-3-[(Z)-2-(2-chlorophenyl)ethenyl]quinoxaline

C22H15ClN2O2S — CID 93007793

IUPAC2-(benzenesulfonyl)-3-[(Z)-2-(2-chlorophenyl)ethenyl]quinoxaline
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1/C=C\c1ccccc1Cl
InChIInChI=1S/C22H15ClN2O2S/c23-18-11-5-4-8-16(18)14-15-21-22(25-20-13-7-6-12-19(20)24-21)28(26,27)17-9-2-1-3-10-17/h1-15H/b15-14-
InChIKeyLRUKYKBUKMBRPD-PFONDFGASA-N
MW406.89 g/mol
LogP5.29
Rot. Bonds4

About 2-(benzenesulfonyl)-3-[(Z)-2-(2-chlorophenyl)ethenyl]quinoxaline

2-(benzenesulfonyl)-3-[(Z)-2-(2-chlorophenyl)ethenyl]quinoxaline (PubChem CID 93007793) has the molecular formula C22H15ClN2O2S and a molecular weight of 406.89 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-[(Z)-2-(2-chlorophenyl)ethenyl]quinoxaline.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-[(Z)-2-(2-chlorophenyl)ethenyl]quinoxaline
PubChem CID93007793
Molecular FormulaC22H15ClN2O2S
Molecular Weight406.89 g/mol
Exact Mass406.05
IUPAC Name2-(benzenesulfonyl)-3-[(Z)-2-(2-chlorophenyl)ethenyl]quinoxaline
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1/C=C\c1ccccc1Cl
InChIInChI=1S/C22H15ClN2O2S/c23-18-11-5-4-8-16(18)14-15-21-22(25-20-13-7-6-12-19(20)24-21)28(26,27)17-9-2-1-3-10-17/h1-15H/b15-14-
InChIKeyLRUKYKBUKMBRPD-PFONDFGASA-N
XLogP5.29
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.89
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-[(Z)-2-(2-chlorophenyl)ethenyl]quinoxaline?
The IUPAC name of 2-(benzenesulfonyl)-3-[(Z)-2-(2-chlorophenyl)ethenyl]quinoxaline (CID 93007793) is 2-(benzenesulfonyl)-3-[(Z)-2-(2-chlorophenyl)ethenyl]quinoxaline.
What is the SMILES notation for 2-(benzenesulfonyl)-3-[(Z)-2-(2-chlorophenyl)ethenyl]quinoxaline?
The canonical SMILES for 2-(benzenesulfonyl)-3-[(Z)-2-(2-chlorophenyl)ethenyl]quinoxaline is O=S(=O)(c1ccccc1)c1nc2ccccc2nc1/C=C\c1ccccc1Cl.
What is the InChIKey of 2-(benzenesulfonyl)-3-[(Z)-2-(2-chlorophenyl)ethenyl]quinoxaline?
The InChIKey is LRUKYKBUKMBRPD-PFONDFGASA-N. The full InChI is InChI=1S/C22H15ClN2O2S/c23-18-11-5-4-8-16(18)14-15-21-22(25-20-13-7-6-12-19(20)24-21)28(26,27)17-9-2-1-3-10-17/h1-15H/b15-14-.
What are the key properties of 2-(benzenesulfonyl)-3-[(Z)-2-(2-chlorophenyl)ethenyl]quinoxaline?
2-(benzenesulfonyl)-3-[(Z)-2-(2-chlorophenyl)ethenyl]quinoxaline has a molecular weight of 406.89 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-[(Z)-2-(2-chlorophenyl)ethenyl]quinoxaline is sourced from PubChem (CID 93007793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).