6,7-dichloro-2-methylsulfonyl-3-pyrrolidin-1-ylquinoxaline

C13H13Cl2N3O2S — CID 22341083

IUPAC6,7-dichloro-2-methylsulfonyl-3-pyrrolidin-1-ylquinoxaline
SMILESCS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCCC1
InChIInChI=1S/C13H13Cl2N3O2S/c1-21(19,20)13-12(18-4-2-3-5-18)16-10-6-8(14)9(15)7-11(10)17-13/h6-7H,2-5H2,1H3
InChIKeySESXEYFLMZWESX-UHFFFAOYSA-N
MW346.24 g/mol
LogP2.94
Rot. Bonds2

About 6,7-dichloro-2-methylsulfonyl-3-pyrrolidin-1-ylquinoxaline

6,7-dichloro-2-methylsulfonyl-3-pyrrolidin-1-ylquinoxaline (PubChem CID 22341083) has the molecular formula C13H13Cl2N3O2S and a molecular weight of 346.24 g/mol. Its IUPAC name is 6,7-dichloro-2-methylsulfonyl-3-pyrrolidin-1-ylquinoxaline.

Molecular Properties

Compound Name6,7-dichloro-2-methylsulfonyl-3-pyrrolidin-1-ylquinoxaline
PubChem CID22341083
Molecular FormulaC13H13Cl2N3O2S
Molecular Weight346.24 g/mol
Exact Mass345.01
IUPAC Name6,7-dichloro-2-methylsulfonyl-3-pyrrolidin-1-ylquinoxaline
SMILESCS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCCC1
InChIInChI=1S/C13H13Cl2N3O2S/c1-21(19,20)13-12(18-4-2-3-5-18)16-10-6-8(14)9(15)7-11(10)17-13/h6-7H,2-5H2,1H3
InChIKeySESXEYFLMZWESX-UHFFFAOYSA-N
XLogP2.94
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(tert-Butyl)-6,7-dichloro-3-(methylsulfonyl)quinoxalin-2-amine
CID 16007289
N-butyl-7-chloro-3-methylsulfonylquinoxalin-2-amine
CID 118726539
7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine
CID 118726540
7-chloro-N-cyclohexyl-3-methylsulfinylquinoxalin-2-amine
CID 118726542
N-sec-butyl-6,7-dichloro-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341045
6,7-dichloro-N-isopropyl-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341047
6,7-Dichloro-2-(isopropylthio)-3-(methylsulfonyl)quinoxaline
CID 22341065
6,7-dichloro-N,N-dimethyl-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341109
6,7-dichloro-N-isopropyl-N-methyl-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341111
6,7-Dichloro-2-(methylsulfonyl)-3-propylquinoxaline
CID 22341131
6,7-dichloro-N-ethyl-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341144
6,7-Dichloro-2-isopropyl-3-(methylsulfonyl)quinoxaline
CID 22341206

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methylsulfonyl-3-pyrrolidin-1-ylquinoxaline?
The IUPAC name of 6,7-dichloro-2-methylsulfonyl-3-pyrrolidin-1-ylquinoxaline (CID 22341083) is 6,7-dichloro-2-methylsulfonyl-3-pyrrolidin-1-ylquinoxaline.
What is the SMILES notation for 6,7-dichloro-2-methylsulfonyl-3-pyrrolidin-1-ylquinoxaline?
The canonical SMILES for 6,7-dichloro-2-methylsulfonyl-3-pyrrolidin-1-ylquinoxaline is CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCCC1.
What is the InChIKey of 6,7-dichloro-2-methylsulfonyl-3-pyrrolidin-1-ylquinoxaline?
The InChIKey is SESXEYFLMZWESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O2S/c1-21(19,20)13-12(18-4-2-3-5-18)16-10-6-8(14)9(15)7-11(10)17-13/h6-7H,2-5H2,1H3.
What are the key properties of 6,7-dichloro-2-methylsulfonyl-3-pyrrolidin-1-ylquinoxaline?
6,7-dichloro-2-methylsulfonyl-3-pyrrolidin-1-ylquinoxaline has a molecular weight of 346.24 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-methylsulfonyl-3-pyrrolidin-1-ylquinoxaline is sourced from PubChem (CID 22341083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).