7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine

C15H18ClN3O2S — CID 118726540

IUPAC7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine
SMILESCS(=O)(=O)c1nc2ccc(Cl)cc2nc1NC1CCCCC1
InChIInChI=1S/C15H18ClN3O2S/c1-22(20,21)15-14(17-11-5-3-2-4-6-11)18-13-9-10(16)7-8-12(13)19-15/h7-9,11H,2-6H2,1H3,(H,17,18)
InChIKeyRDYJLTXGRLUHLK-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.43
Rot. Bonds3

About 7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine

7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine (PubChem CID 118726540) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine.

Molecular Properties

Compound Name7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine
PubChem CID118726540
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine
SMILESCS(=O)(=O)c1nc2ccc(Cl)cc2nc1NC1CCCCC1
InChIInChI=1S/C15H18ClN3O2S/c1-22(20,21)15-14(17-11-5-3-2-4-6-11)18-13-9-10(16)7-8-12(13)19-15/h7-9,11H,2-6H2,1H3,(H,17,18)
InChIKeyRDYJLTXGRLUHLK-UHFFFAOYSA-N
XLogP3.43
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine?
The IUPAC name of 7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine (CID 118726540) is 7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine.
What is the SMILES notation for 7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine?
The canonical SMILES for 7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine is CS(=O)(=O)c1nc2ccc(Cl)cc2nc1NC1CCCCC1.
What is the InChIKey of 7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine?
The InChIKey is RDYJLTXGRLUHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-22(20,21)15-14(17-11-5-3-2-4-6-11)18-13-9-10(16)7-8-12(13)19-15/h7-9,11H,2-6H2,1H3,(H,17,18).
What are the key properties of 7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine?
7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine has a molecular weight of 339.85 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-cyclohexyl-3-methylsulfonylquinoxalin-2-amine is sourced from PubChem (CID 118726540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).