3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine

C24H18ClN5O2S — CID 6889888

IUPAC3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
SMILESCc1cccc(/C=N/n2c(N)c(S(=O)(=O)c3cccc(Cl)c3)c3nc4ccccc4nc32)c1
InChIInChI=1S/C24H18ClN5O2S/c1-15-6-4-7-16(12-15)14-27-30-23(26)22(33(31,32)18-9-5-8-17(25)13-18)21-24(30)29-20-11-3-2-10-19(20)28-21/h2-14H,26H2,1H3/b27-14+
InChIKeyOSKNSGFBEGPUJK-MZJWZYIUSA-N
MW475.96 g/mol
LogP4.84
Rot. Bonds4

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

3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 6889888) has the molecular formula C24H18ClN5O2S and a molecular weight of 475.96 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID6889888
Molecular FormulaC24H18ClN5O2S
Molecular Weight475.96 g/mol
Exact Mass475.09
IUPAC Name3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
SMILESCc1cccc(/C=N/n2c(N)c(S(=O)(=O)c3cccc(Cl)c3)c3nc4ccccc4nc32)c1
InChIInChI=1S/C24H18ClN5O2S/c1-15-6-4-7-16(12-15)14-27-30-23(26)22(33(31,32)18-9-5-8-17(25)13-18)21-24(30)29-20-11-3-2-10-19(20)28-21/h2-14H,26H2,1H3/b27-14+
InChIKeyOSKNSGFBEGPUJK-MZJWZYIUSA-N
XLogP4.84
TPSA103.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.96
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine (CID 6889888) is 3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine is Cc1cccc(/C=N/n2c(N)c(S(=O)(=O)c3cccc(Cl)c3)c3nc4ccccc4nc32)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is OSKNSGFBEGPUJK-MZJWZYIUSA-N. The full InChI is InChI=1S/C24H18ClN5O2S/c1-15-6-4-7-16(12-15)14-27-30-23(26)22(33(31,32)18-9-5-8-17(25)13-18)21-24(30)29-20-11-3-2-10-19(20)28-21/h2-14H,26H2,1H3/b27-14+.
What are the key properties of 3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine?
3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 475.96 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 6889888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).