3-(benzenesulfonyl)-N-(4-chlorophenyl)quinoxalin-2-amine

C20H14ClN3O2S — CID 56670249

IUPAC3-(benzenesulfonyl)-N-(4-chlorophenyl)quinoxalin-2-amine
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3O2S/c21-14-10-12-15(13-11-14)22-19-20(24-18-9-5-4-8-17(18)23-19)27(25,26)16-6-2-1-3-7-16/h1-13H,(H,22,23)
InChIKeyMPYCWWDSVDQCJD-UHFFFAOYSA-N
MW395.87 g/mol
LogP4.86
Rot. Bonds4

About 3-(benzenesulfonyl)-N-(4-chlorophenyl)quinoxalin-2-amine

3-(benzenesulfonyl)-N-(4-chlorophenyl)quinoxalin-2-amine (PubChem CID 56670249) has the molecular formula C20H14ClN3O2S and a molecular weight of 395.87 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(4-chlorophenyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(4-chlorophenyl)quinoxalin-2-amine
PubChem CID56670249
Molecular FormulaC20H14ClN3O2S
Molecular Weight395.87 g/mol
Exact Mass395.05
IUPAC Name3-(benzenesulfonyl)-N-(4-chlorophenyl)quinoxalin-2-amine
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3O2S/c21-14-10-12-15(13-11-14)22-19-20(24-18-9-5-4-8-17(18)23-19)27(25,26)16-6-2-1-3-7-16/h1-13H,(H,22,23)
InChIKeyMPYCWWDSVDQCJD-UHFFFAOYSA-N
XLogP4.86
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(benzenesulfonyl)-N-(4-chlorophenyl)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-(benzenesulfonyl)-N-(4-chlorophenyl)quinoxalin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-(4-chlorophenyl)quinoxalin-2-amine (CID 56670249) is 3-(benzenesulfonyl)-N-(4-chlorophenyl)quinoxalin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(4-chlorophenyl)quinoxalin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-(4-chlorophenyl)quinoxalin-2-amine is O=S(=O)(c1ccccc1)c1nc2ccccc2nc1Nc1ccc(Cl)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(4-chlorophenyl)quinoxalin-2-amine?
The InChIKey is MPYCWWDSVDQCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2S/c21-14-10-12-15(13-11-14)22-19-20(24-18-9-5-4-8-17(18)23-19)27(25,26)16-6-2-1-3-7-16/h1-13H,(H,22,23).
What are the key properties of 3-(benzenesulfonyl)-N-(4-chlorophenyl)quinoxalin-2-amine?
3-(benzenesulfonyl)-N-(4-chlorophenyl)quinoxalin-2-amine has a molecular weight of 395.87 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(4-chlorophenyl)quinoxalin-2-amine is sourced from PubChem (CID 56670249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).