6,7-dichloro-2-cyclopentylsulfonyl-3-(trifluoromethyl)quinoxaline

C14H11Cl2F3N2O2S — CID 22341201

IUPAC6,7-dichloro-2-cyclopentylsulfonyl-3-(trifluoromethyl)quinoxaline
SMILESO=S(=O)(c1nc2cc(Cl)c(Cl)cc2nc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C14H11Cl2F3N2O2S/c15-8-5-10-11(6-9(8)16)21-13(12(20-10)14(17,18)19)24(22,23)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyOWVSPXXYHWDJKR-UHFFFAOYSA-N
MW399.22 g/mol
LogP4.67
Rot. Bonds2

About 6,7-dichloro-2-cyclopentylsulfonyl-3-(trifluoromethyl)quinoxaline

6,7-dichloro-2-cyclopentylsulfonyl-3-(trifluoromethyl)quinoxaline (PubChem CID 22341201) has the molecular formula C14H11Cl2F3N2O2S and a molecular weight of 399.22 g/mol. Its IUPAC name is 6,7-dichloro-2-cyclopentylsulfonyl-3-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name6,7-dichloro-2-cyclopentylsulfonyl-3-(trifluoromethyl)quinoxaline
PubChem CID22341201
Molecular FormulaC14H11Cl2F3N2O2S
Molecular Weight399.22 g/mol
Exact Mass397.99
IUPAC Name6,7-dichloro-2-cyclopentylsulfonyl-3-(trifluoromethyl)quinoxaline
SMILESO=S(=O)(c1nc2cc(Cl)c(Cl)cc2nc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C14H11Cl2F3N2O2S/c15-8-5-10-11(6-9(8)16)21-13(12(20-10)14(17,18)19)24(22,23)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyOWVSPXXYHWDJKR-UHFFFAOYSA-N
XLogP4.67
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.22
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-cyclopentylsulfonyl-3-(trifluoromethyl)quinoxaline?
The IUPAC name of 6,7-dichloro-2-cyclopentylsulfonyl-3-(trifluoromethyl)quinoxaline (CID 22341201) is 6,7-dichloro-2-cyclopentylsulfonyl-3-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 6,7-dichloro-2-cyclopentylsulfonyl-3-(trifluoromethyl)quinoxaline?
The canonical SMILES for 6,7-dichloro-2-cyclopentylsulfonyl-3-(trifluoromethyl)quinoxaline is O=S(=O)(c1nc2cc(Cl)c(Cl)cc2nc1C(F)(F)F)C1CCCC1.
What is the InChIKey of 6,7-dichloro-2-cyclopentylsulfonyl-3-(trifluoromethyl)quinoxaline?
The InChIKey is OWVSPXXYHWDJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N2O2S/c15-8-5-10-11(6-9(8)16)21-13(12(20-10)14(17,18)19)24(22,23)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 6,7-dichloro-2-cyclopentylsulfonyl-3-(trifluoromethyl)quinoxaline?
6,7-dichloro-2-cyclopentylsulfonyl-3-(trifluoromethyl)quinoxaline has a molecular weight of 399.22 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-cyclopentylsulfonyl-3-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 22341201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).