1-[(E)-(3-chlorophenyl)methylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine

C23H15Cl2N5O2S — CID 6890201

IUPAC1-[(E)-(3-chlorophenyl)methylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1/N=C/c1cccc(Cl)c1
InChIInChI=1S/C23H15Cl2N5O2S/c24-15-6-3-5-14(11-15)13-27-30-22(26)21(33(31,32)17-8-4-7-16(25)12-17)20-23(30)29-19-10-2-1-9-18(19)28-20/h1-13H,26H2/b27-13+
InChIKeyQGHVQOHVWQCGJJ-UVHMKAGCSA-N
MW496.38 g/mol
LogP5.19
Rot. Bonds4

About 1-[(E)-(3-chlorophenyl)methylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine

1-[(E)-(3-chlorophenyl)methylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 6890201) has the molecular formula C23H15Cl2N5O2S and a molecular weight of 496.38 g/mol. Its IUPAC name is 1-[(E)-(3-chlorophenyl)methylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name1-[(E)-(3-chlorophenyl)methylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID6890201
Molecular FormulaC23H15Cl2N5O2S
Molecular Weight496.38 g/mol
Exact Mass495.03
IUPAC Name1-[(E)-(3-chlorophenyl)methylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1/N=C/c1cccc(Cl)c1
InChIInChI=1S/C23H15Cl2N5O2S/c24-15-6-3-5-14(11-15)13-27-30-22(26)21(33(31,32)17-8-4-7-16(25)12-17)20-23(30)29-19-10-2-1-9-18(19)28-20/h1-13H,26H2/b27-13+
InChIKeyQGHVQOHVWQCGJJ-UVHMKAGCSA-N
XLogP5.19
TPSA103.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.38
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
CID 6889888
3-(3-chlorophenyl)sulfonyl-1-(pyridin-3-ylmethylideneamino)pyrrolo[3,2-b]quinoxalin-2-amine
CID 3751978
3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
CID 6889186
4-[(E)-[2-amino-3-(4-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]benzene-1,2-diol
CID 135649200
1-(benzylideneamino)-3-(3,4-dimethylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 2031660
1-[(E)-benzylideneamino]-3-(3,4-dimethylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 6890562
3-(benzenesulfonyl)-1-(pyridin-4-ylmethylideneamino)pyrrolo[3,2-b]quinoxalin-2-amine
CID 3744459
3-(4-methoxyphenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
CID 6889921
3-(3,4-dimethylphenyl)sulfonyl-1-[(E)-(4-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
CID 6890034
2-[(Z)-[2-amino-3-(4-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]phenol
CID 136736868
1-[(Z)-(3-methylphenyl)methylideneamino]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 6224562
3-(3-chlorophenyl)sulfonyl-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-amine
CID 2008908

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3-chlorophenyl)methylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 1-[(E)-(3-chlorophenyl)methylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine (CID 6890201) is 1-[(E)-(3-chlorophenyl)methylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 1-[(E)-(3-chlorophenyl)methylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 1-[(E)-(3-chlorophenyl)methylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine is Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1/N=C/c1cccc(Cl)c1.
What is the InChIKey of 1-[(E)-(3-chlorophenyl)methylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is QGHVQOHVWQCGJJ-UVHMKAGCSA-N. The full InChI is InChI=1S/C23H15Cl2N5O2S/c24-15-6-3-5-14(11-15)13-27-30-22(26)21(33(31,32)17-8-4-7-16(25)12-17)20-23(30)29-19-10-2-1-9-18(19)28-20/h1-13H,26H2/b27-13+.
What are the key properties of 1-[(E)-(3-chlorophenyl)methylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
1-[(E)-(3-chlorophenyl)methylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 496.38 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3-chlorophenyl)methylideneamino]-3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 6890201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).