6,7-dichloro-3-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoxalin-2-amine

C19H17Cl2N3O2S — CID 22341084

IUPAC6,7-dichloro-3-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoxalin-2-amine
SMILESCS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1NC1CCCc2ccccc21
InChIInChI=1S/C19H17Cl2N3O2S/c1-27(25,26)19-18(23-16-9-13(20)14(21)10-17(16)24-19)22-15-8-4-6-11-5-2-3-7-12(11)15/h2-3,5,7,9-10,15H,4,6,8H2,1H3,(H,22,23)
InChIKeyUGRXLCPTXWYIJX-UHFFFAOYSA-N
MW422.34 g/mol
LogP4.83
Rot. Bonds3

About 6,7-dichloro-3-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoxalin-2-amine

6,7-dichloro-3-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoxalin-2-amine (PubChem CID 22341084) has the molecular formula C19H17Cl2N3O2S and a molecular weight of 422.34 g/mol. Its IUPAC name is 6,7-dichloro-3-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoxalin-2-amine.

Molecular Properties

Compound Name6,7-dichloro-3-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoxalin-2-amine
PubChem CID22341084
Molecular FormulaC19H17Cl2N3O2S
Molecular Weight422.34 g/mol
Exact Mass421.04
IUPAC Name6,7-dichloro-3-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoxalin-2-amine
SMILESCS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1NC1CCCc2ccccc21
InChIInChI=1S/C19H17Cl2N3O2S/c1-27(25,26)19-18(23-16-9-13(20)14(21)10-17(16)24-19)22-15-8-4-6-11-5-2-3-7-12(11)15/h2-3,5,7,9-10,15H,4,6,8H2,1H3,(H,22,23)
InChIKeyUGRXLCPTXWYIJX-UHFFFAOYSA-N
XLogP4.83
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.83
H-Bond Donors ≤ 51
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-N-ethyl-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341144
N-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylquinoxalin-2-amine
CID 56663387
6,7-dichloro-N-[2-(2-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine
CID 22341190
6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfonylquinoxalin-2-amine
CID 22341218
6,7-dichloro-N-[2-(3-fluorophenyl)ethyl]-3-methylsulfanylquinoxalin-2-amine
CID 142006552
3-[(4-Chlorophenyl)methanesulfonyl]-N-propylquinoxalin-2-amine
CID 46376909

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoxalin-2-amine?
The IUPAC name of 6,7-dichloro-3-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoxalin-2-amine (CID 22341084) is 6,7-dichloro-3-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoxalin-2-amine.
What is the SMILES notation for 6,7-dichloro-3-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoxalin-2-amine?
The canonical SMILES for 6,7-dichloro-3-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoxalin-2-amine is CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1NC1CCCc2ccccc21.
What is the InChIKey of 6,7-dichloro-3-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoxalin-2-amine?
The InChIKey is UGRXLCPTXWYIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2S/c1-27(25,26)19-18(23-16-9-13(20)14(21)10-17(16)24-19)22-15-8-4-6-11-5-2-3-7-12(11)15/h2-3,5,7,9-10,15H,4,6,8H2,1H3,(H,22,23).
What are the key properties of 6,7-dichloro-3-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoxalin-2-amine?
6,7-dichloro-3-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoxalin-2-amine has a molecular weight of 422.34 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoxalin-2-amine is sourced from PubChem (CID 22341084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).