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

C24H18ClN5O3S — CID 6889186

IUPAC3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
SMILESCOc1cccc(/C=N/n2c(N)c(S(=O)(=O)c3cccc(Cl)c3)c3nc4ccccc4nc32)c1
InChIInChI=1S/C24H18ClN5O3S/c1-33-17-8-4-6-15(12-17)14-27-30-23(26)22(34(31,32)18-9-5-7-16(25)13-18)21-24(30)29-20-11-3-2-10-19(20)28-21/h2-14H,26H2,1H3/b27-14+
InChIKeyCSEFSESCNHGCQP-MZJWZYIUSA-N
MW491.96 g/mol
LogP4.54
Rot. Bonds5

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

3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 6889186) has the molecular formula C24H18ClN5O3S and a molecular weight of 491.96 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID6889186
Molecular FormulaC24H18ClN5O3S
Molecular Weight491.96 g/mol
Exact Mass491.08
IUPAC Name3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine
SMILESCOc1cccc(/C=N/n2c(N)c(S(=O)(=O)c3cccc(Cl)c3)c3nc4ccccc4nc32)c1
InChIInChI=1S/C24H18ClN5O3S/c1-33-17-8-4-6-15(12-17)14-27-30-23(26)22(34(31,32)18-9-5-7-16(25)13-18)21-24(30)29-20-11-3-2-10-19(20)28-21/h2-14H,26H2,1H3/b27-14+
InChIKeyCSEFSESCNHGCQP-MZJWZYIUSA-N
XLogP4.54
TPSA112.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.96
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine (CID 6889186) is 3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine is COc1cccc(/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-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is CSEFSESCNHGCQP-MZJWZYIUSA-N. The full InChI is InChI=1S/C24H18ClN5O3S/c1-33-17-8-4-6-15(12-17)14-27-30-23(26)22(34(31,32)18-9-5-7-16(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-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine?
3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 491.96 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-1-[(E)-(3-methoxyphenyl)methylideneamino]pyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 6889186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).