4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide

C17H13N5O3S — CID 135435007

IUPAC4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1
InChIInChI=1S/C17H13N5O3S/c18-26(24,25)11-5-3-10(4-6-11)21-22-16-15-12-2-1-9-19-13(12)7-8-14(15)20-17(16)23/h1-9,19H,(H,20,23)(H2,18,24,25)/b22-21+
InChIKeyPXJOCPODSAQBED-QURGRASLSA-N
MW367.39 g/mol
LogP3.07
Rot. Bonds3

About 4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide

4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide (PubChem CID 135435007) has the molecular formula C17H13N5O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide
PubChem CID135435007
Molecular FormulaC17H13N5O3S
Molecular Weight367.39 g/mol
Exact Mass367.07
IUPAC Name4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1
InChIInChI=1S/C17H13N5O3S/c18-26(24,25)11-5-3-10(4-6-11)21-22-16-15-12-2-1-9-19-13(12)7-8-14(15)20-17(16)23/h1-9,19H,(H,20,23)(H2,18,24,25)/b22-21+
InChIKeyPXJOCPODSAQBED-QURGRASLSA-N
XLogP3.07
TPSA133.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide (CID 135435007) is 4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=N/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1.
What is the InChIKey of 4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide?
The InChIKey is PXJOCPODSAQBED-QURGRASLSA-N. The full InChI is InChI=1S/C17H13N5O3S/c18-26(24,25)11-5-3-10(4-6-11)21-22-16-15-12-2-1-9-19-13(12)7-8-14(15)20-17(16)23/h1-9,19H,(H,20,23)(H2,18,24,25)/b22-21+.
What are the key properties of 4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide?
4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide has a molecular weight of 367.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 135435007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).