4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide

C24H17ClN6O2S — CID 2415621

IUPAC4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1-n1c(N)c(C#N)c2nc3ccccc3nc21
InChIInChI=1S/C24H17ClN6O2S/c1-14-11-17(34(32,33)30-16-6-4-5-15(25)12-16)9-10-21(14)31-23(27)18(13-26)22-24(31)29-20-8-3-2-7-19(20)28-22/h2-12,30H,27H2,1H3
InChIKeyZGMWWTZPJJAASW-UHFFFAOYSA-N
MW488.96 g/mol
LogP4.79
Rot. Bonds4

About 4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide

4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide (PubChem CID 2415621) has the molecular formula C24H17ClN6O2S and a molecular weight of 488.96 g/mol. Its IUPAC name is 4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide
PubChem CID2415621
Molecular FormulaC24H17ClN6O2S
Molecular Weight488.96 g/mol
Exact Mass488.08
IUPAC Name4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1-n1c(N)c(C#N)c2nc3ccccc3nc21
InChIInChI=1S/C24H17ClN6O2S/c1-14-11-17(34(32,33)30-16-6-4-5-15(25)12-16)9-10-21(14)31-23(27)18(13-26)22-24(31)29-20-8-3-2-7-19(20)28-22/h2-12,30H,27H2,1H3
InChIKeyZGMWWTZPJJAASW-UHFFFAOYSA-N
XLogP4.79
TPSA126.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.96
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-1-(2-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 745688
2-amino-1-(3-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 853276
2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 911015
N-(3-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383219
N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-chloro-3-nitrobenzenesulfonamide
CID 4146673
3-amino-N-(3-chlorophenyl)benzenesulfonamide
CID 3828479
2-amino-1-(3-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 168731126
3-chloro-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1400465
1,2-diaminopyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 933055
N-[7-[(2-chlorophenyl)-[(12-cyanoindolizino[2,3-b]quinoxalin-2-yl)amino]methoxy]-12-cyanoindolizino[2,3-b]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 123916546
N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2309498
2-amino-1-(4-piperidin-1-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 987559

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide (CID 2415621) is 4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1-n1c(N)c(C#N)c2nc3ccccc3nc21.
What is the InChIKey of 4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide?
The InChIKey is ZGMWWTZPJJAASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN6O2S/c1-14-11-17(34(32,33)30-16-6-4-5-15(25)12-16)9-10-21(14)31-23(27)18(13-26)22-24(31)29-20-8-3-2-7-19(20)28-22/h2-12,30H,27H2,1H3.
What are the key properties of 4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide?
4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide has a molecular weight of 488.96 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)-N-(3-chlorophenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 2415621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).