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

C21H17ClN4O3S — CID 57448451

IUPACN-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H17ClN4O3S/c1-29-19-13-14(11-12-16(19)22)23-20-21(25-18-10-6-5-9-17(18)24-20)26-30(27,28)15-7-3-2-4-8-15/h2-13H,1H3,(H,23,24)(H,25,26)
InChIKeyDVBCTPSEVZPJQD-UHFFFAOYSA-N
MW440.91 g/mol
LogP4.84
Rot. Bonds6

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

N-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 57448451) has the molecular formula C21H17ClN4O3S and a molecular weight of 440.91 g/mol. Its IUPAC name is N-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID57448451
Molecular FormulaC21H17ClN4O3S
Molecular Weight440.91 g/mol
Exact Mass440.07
IUPAC NameN-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H17ClN4O3S/c1-29-19-13-14(11-12-16(19)22)23-20-21(25-18-10-6-5-9-17(18)24-20)26-30(27,28)15-7-3-2-4-8-15/h2-13H,1H3,(H,23,24)(H,25,26)
InChIKeyDVBCTPSEVZPJQD-UHFFFAOYSA-N
XLogP4.84
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-chloro-3-methoxyanilino)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

Related Compounds

3-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1413527
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2309498
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
3-nitro-N-[3-(3,4,5-trimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 3333042
N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
N-[3-(4-chloro-3-nitroanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3821477
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
4-chloro-N-[3-(naphthalen-2-ylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1050498
N-[3-[3-(fluoromethyl)-5-methoxyanilino]quinoxalin-2-yl]benzenesulfonamide
CID 70906976
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide (CID 57448451) is N-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide is COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of N-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is DVBCTPSEVZPJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3S/c1-29-19-13-14(11-12-16(19)22)23-20-21(25-18-10-6-5-9-17(18)24-20)26-30(27,28)15-7-3-2-4-8-15/h2-13H,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 440.91 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 57448451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).