2-benzylsulfonyl-6-chloroquinoxaline

C15H11ClN2O2S — CID 70551736

IUPAC2-benzylsulfonyl-6-chloroquinoxaline
SMILESO=S(=O)(Cc1ccccc1)c1cnc2cc(Cl)ccc2n1
InChIInChI=1S/C15H11ClN2O2S/c16-12-6-7-13-14(8-12)17-9-15(18-13)21(19,20)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyAEPRHDKRJUTMRU-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.26
Rot. Bonds3

About 2-benzylsulfonyl-6-chloroquinoxaline

2-benzylsulfonyl-6-chloroquinoxaline (PubChem CID 70551736) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is 2-benzylsulfonyl-6-chloroquinoxaline.

Molecular Properties

Compound Name2-benzylsulfonyl-6-chloroquinoxaline
PubChem CID70551736
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name2-benzylsulfonyl-6-chloroquinoxaline
SMILESO=S(=O)(Cc1ccccc1)c1cnc2cc(Cl)ccc2n1
InChIInChI=1S/C15H11ClN2O2S/c16-12-6-7-13-14(8-12)17-9-15(18-13)21(19,20)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyAEPRHDKRJUTMRU-UHFFFAOYSA-N
XLogP3.26
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzylsulfonyl)quinoxaline
CID 3585815
2-[(4-Chlorophenyl)sulfanyl]quinoxaline
CID 1480425
2-(4-Chlorophenyl)sulfonylquinoxaline
CID 3720993
2-(4-(Methylsulfonyl)benzylsulfonyl)-6,7-dichloro-3-isopropylquinoxaline
CID 22341135
2-[(2-Chlorophenyl)sulfanyl]quinoxaline
CID 3740927
2-[(3,5-Dimethylphenyl)sulfonyl]quinoxaline
CID 3792610
2-[(2-Methylbenzyl)sulfonyl]quinoxaline
CID 5163693
2-(4-(Cyclopropylmethylsulfonyl)benzylsulfonyl)-6,7-dichloro-3-isopropylquinoxaline
CID 44442072
N-(5-chloroquinolin-8-yl)benzenesulfonamide
CID 3596728
2-[(4-Fluorophenyl)methylsulfinyl]quinoxaline
CID 178292287
2-[(4-Fluorophenyl)methylsulfonyl]quinoxaline
CID 178293162
6-Chloro-2-[(4-fluorophenyl)methylsulfinyl]quinoxaline
CID 178293564

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-6-chloroquinoxaline?
The IUPAC name of 2-benzylsulfonyl-6-chloroquinoxaline (CID 70551736) is 2-benzylsulfonyl-6-chloroquinoxaline.
What is the SMILES notation for 2-benzylsulfonyl-6-chloroquinoxaline?
The canonical SMILES for 2-benzylsulfonyl-6-chloroquinoxaline is O=S(=O)(Cc1ccccc1)c1cnc2cc(Cl)ccc2n1.
What is the InChIKey of 2-benzylsulfonyl-6-chloroquinoxaline?
The InChIKey is AEPRHDKRJUTMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-12-6-7-13-14(8-12)17-9-15(18-13)21(19,20)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 2-benzylsulfonyl-6-chloroquinoxaline?
2-benzylsulfonyl-6-chloroquinoxaline has a molecular weight of 318.79 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-6-chloroquinoxaline is sourced from PubChem (CID 70551736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).