3-(2,5-dichlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine

C21H18Cl2N4O3S — CID 3978176

IUPAC3-(2,5-dichlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2cc(Cl)ccc2Cl)c2nc3ccccc3nc2n1CC1CCCO1
InChIInChI=1S/C21H18Cl2N4O3S/c22-12-7-8-14(23)17(10-12)31(28,29)19-18-21(26-16-6-2-1-5-15(16)25-18)27(20(19)24)11-13-4-3-9-30-13/h1-2,5-8,10,13H,3-4,9,11,24H2
InChIKeyUGHZUYNWEMZOEI-UHFFFAOYSA-N
MW477.37 g/mol
LogP4.49
Rot. Bonds4

About 3-(2,5-dichlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine

3-(2,5-dichlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 3978176) has the molecular formula C21H18Cl2N4O3S and a molecular weight of 477.37 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID3978176
Molecular FormulaC21H18Cl2N4O3S
Molecular Weight477.37 g/mol
Exact Mass476.05
IUPAC Name3-(2,5-dichlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2cc(Cl)ccc2Cl)c2nc3ccccc3nc2n1CC1CCCO1
InChIInChI=1S/C21H18Cl2N4O3S/c22-12-7-8-14(23)17(10-12)31(28,29)19-18-21(26-16-6-2-1-5-15(16)25-18)27(20(19)24)11-13-4-3-9-30-13/h1-2,5-8,10,13H,3-4,9,11,24H2
InChIKeyUGHZUYNWEMZOEI-UHFFFAOYSA-N
XLogP4.49
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2,5-dichlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine (CID 3978176) is 3-(2,5-dichlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine is Nc1c(S(=O)(=O)c2cc(Cl)ccc2Cl)c2nc3ccccc3nc2n1CC1CCCO1.
What is the InChIKey of 3-(2,5-dichlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is UGHZUYNWEMZOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O3S/c22-12-7-8-14(23)17(10-12)31(28,29)19-18-21(26-16-6-2-1-5-15(16)25-18)27(20(19)24)11-13-4-3-9-30-13/h1-2,5-8,10,13H,3-4,9,11,24H2.
What are the key properties of 3-(2,5-dichlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine?
3-(2,5-dichlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 477.37 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)sulfonyl-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 3978176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).