4-[(benzo[g]quinolin-4-ylamino)methyl]benzenesulfonamide

C20H17N3O2S — CID 3248107

IUPAC4-[(benzo[g]quinolin-4-ylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccnc3cc4ccccc4cc23)cc1
InChIInChI=1S/C20H17N3O2S/c21-26(24,25)17-7-5-14(6-8-17)13-23-19-9-10-22-20-12-16-4-2-1-3-15(16)11-18(19)20/h1-12H,13H2,(H,22,23)(H2,21,24,25)
InChIKeyARGIMXGPJRDXHY-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.65
Rot. Bonds4

About 4-[(benzo[g]quinolin-4-ylamino)methyl]benzenesulfonamide

4-[(benzo[g]quinolin-4-ylamino)methyl]benzenesulfonamide (PubChem CID 3248107) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-[(benzo[g]quinolin-4-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(benzo[g]quinolin-4-ylamino)methyl]benzenesulfonamide
PubChem CID3248107
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name4-[(benzo[g]quinolin-4-ylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccnc3cc4ccccc4cc23)cc1
InChIInChI=1S/C20H17N3O2S/c21-26(24,25)17-7-5-14(6-8-17)13-23-19-9-10-22-20-12-16-4-2-1-3-15(16)11-18(19)20/h1-12H,13H2,(H,22,23)(H2,21,24,25)
InChIKeyARGIMXGPJRDXHY-UHFFFAOYSA-N
XLogP3.65
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(benzo[g]quinolin-4-ylamino)methyl]benzenesulfonamide?
The IUPAC name of 4-[(benzo[g]quinolin-4-ylamino)methyl]benzenesulfonamide (CID 3248107) is 4-[(benzo[g]quinolin-4-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(benzo[g]quinolin-4-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(benzo[g]quinolin-4-ylamino)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2ccnc3cc4ccccc4cc23)cc1.
What is the InChIKey of 4-[(benzo[g]quinolin-4-ylamino)methyl]benzenesulfonamide?
The InChIKey is ARGIMXGPJRDXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c21-26(24,25)17-7-5-14(6-8-17)13-23-19-9-10-22-20-12-16-4-2-1-3-15(16)11-18(19)20/h1-12H,13H2,(H,22,23)(H2,21,24,25).
What are the key properties of 4-[(benzo[g]quinolin-4-ylamino)methyl]benzenesulfonamide?
4-[(benzo[g]quinolin-4-ylamino)methyl]benzenesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(benzo[g]quinolin-4-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 3248107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).