4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide

C28H22ClN5O2S — CID 2377808

IUPAC4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide
SMILESCCn1c2ccccc2c2cc(Nc3nc4ccccc4nc3NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C28H22ClN5O2S/c1-2-34-25-10-6-3-7-21(25)22-17-19(13-16-26(22)34)30-27-28(32-24-9-5-4-8-23(24)31-27)33-37(35,36)20-14-11-18(29)12-15-20/h3-17H,2H2,1H3,(H,30,31)(H,32,33)
InChIKeyQUFHAQQMAMKUFI-UHFFFAOYSA-N
MW528.04 g/mol
LogP6.96
Rot. Bonds6

About 4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide

4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 2377808) has the molecular formula C28H22ClN5O2S and a molecular weight of 528.04 g/mol. Its IUPAC name is 4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide
PubChem CID2377808
Molecular FormulaC28H22ClN5O2S
Molecular Weight528.04 g/mol
Exact Mass527.12
IUPAC Name4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide
SMILESCCn1c2ccccc2c2cc(Nc3nc4ccccc4nc3NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C28H22ClN5O2S/c1-2-34-25-10-6-3-7-21(25)22-17-19(13-16-26(22)34)30-27-28(32-24-9-5-4-8-23(24)31-27)33-37(35,36)20-14-11-18(29)12-15-20/h3-17H,2H2,1H3,(H,30,31)(H,32,33)
InChIKeyQUFHAQQMAMKUFI-UHFFFAOYSA-N
XLogP6.96
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.04
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]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-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide (CID 2377808) is 4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide is CCn1c2ccccc2c2cc(Nc3nc4ccccc4nc3NS(=O)(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is QUFHAQQMAMKUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN5O2S/c1-2-34-25-10-6-3-7-21(25)22-17-19(13-16-26(22)34)30-27-28(32-24-9-5-4-8-23(24)31-27)33-37(35,36)20-14-11-18(29)12-15-20/h3-17H,2H2,1H3,(H,30,31)(H,32,33).
What are the key properties of 4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide?
4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 528.04 g/mol, XLogP of 6.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(9-ethylcarbazol-3-yl)amino]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 2377808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).