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

C18H15N5O3S — CID 135981076

IUPACN-methyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(/N=N/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1
InChIInChI=1S/C18H15N5O3S/c1-19-27(25,26)12-6-4-11(5-7-12)22-23-17-16-13-3-2-10-20-14(13)8-9-15(16)21-18(17)24/h2-10,19-20H,1H3,(H,21,24)/b23-22+
InChIKeySXJUDHILBLUELG-GHVJWSGMSA-N
MW381.42 g/mol
LogP3.33
Rot. Bonds4

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

N-methyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide (PubChem CID 135981076) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is N-methyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide
PubChem CID135981076
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC NameN-methyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(/N=N/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1
InChIInChI=1S/C18H15N5O3S/c1-19-27(25,26)12-6-4-11(5-7-12)22-23-17-16-13-3-2-10-20-14(13)8-9-15(16)21-18(17)24/h2-10,19-20H,1H3,(H,21,24)/b23-22+
InChIKeySXJUDHILBLUELG-GHVJWSGMSA-N
XLogP3.33
TPSA119.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.33
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 N-methyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide (CID 135981076) is N-methyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(/N=N/c2c(=O)[nH]c3ccc4[nH]cccc4c23)cc1.
What is the InChIKey of N-methyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide?
The InChIKey is SXJUDHILBLUELG-GHVJWSGMSA-N. The full InChI is InChI=1S/C18H15N5O3S/c1-19-27(25,26)12-6-4-11(5-7-12)22-23-17-16-13-3-2-10-20-14(13)8-9-15(16)21-18(17)24/h2-10,19-20H,1H3,(H,21,24)/b23-22+.
What are the key properties of N-methyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide?
N-methyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide has a molecular weight of 381.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 135981076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).