4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide

C20H17N3O4S — CID 19233159

IUPAC4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC(c2ccco2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C20H17N3O4S/c21-28(25,26)15-8-6-14(7-9-15)23-19(17-4-2-12-27-17)16-10-5-13-3-1-11-22-18(13)20(16)24/h1-12,19,23-24H,(H2,21,25,26)
InChIKeyNFMANSCQNMFEEW-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.38
Rot. Bonds5

About 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide

4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide (PubChem CID 19233159) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide
PubChem CID19233159
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC(c2ccco2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C20H17N3O4S/c21-28(25,26)15-8-6-14(7-9-15)23-19(17-4-2-12-27-17)16-10-5-13-3-1-11-22-18(13)20(16)24/h1-12,19,23-24H,(H2,21,25,26)
InChIKeyNFMANSCQNMFEEW-UHFFFAOYSA-N
XLogP3.38
TPSA118.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide?
The IUPAC name of 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide (CID 19233159) is 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(NC(c2ccco2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide?
The InChIKey is NFMANSCQNMFEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c21-28(25,26)15-8-6-14(7-9-15)23-19(17-4-2-12-27-17)16-10-5-13-3-1-11-22-18(13)20(16)24/h1-12,19,23-24H,(H2,21,25,26).
What are the key properties of 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide?
4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide has a molecular weight of 395.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]amino]benzenesulfonamide is sourced from PubChem (CID 19233159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).