4-chloro-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide

C17H15ClN4O2S — CID 2055374

IUPAC4-chloro-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESC=CCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O2S/c1-2-11-19-16-17(21-15-6-4-3-5-14(15)20-16)22-25(23,24)13-9-7-12(18)8-10-13/h2-10H,1,11H2,(H,19,20)(H,21,22)
InChIKeyLQGJBOVUXDISQT-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.68
Rot. Bonds6

About 4-chloro-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide

4-chloro-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 2055374) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 4-chloro-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID2055374
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name4-chloro-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide
SMILESC=CCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O2S/c1-2-11-19-16-17(21-15-6-4-3-5-14(15)20-16)22-25(23,24)13-9-7-12(18)8-10-13/h2-10H,1,11H2,(H,19,20)(H,21,22)
InChIKeyLQGJBOVUXDISQT-UHFFFAOYSA-N
XLogP3.68
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-chloro-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide 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 4-chloro-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide (CID 2055374) is 4-chloro-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide is C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is LQGJBOVUXDISQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-2-11-19-16-17(21-15-6-4-3-5-14(15)20-16)22-25(23,24)13-9-7-12(18)8-10-13/h2-10H,1,11H2,(H,19,20)(H,21,22).
What are the key properties of 4-chloro-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide?
4-chloro-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 374.85 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 2055374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).