2-nitro-N-quinolin-8-ylbenzenesulfonamide

C15H11N3O4S — CID 739449

IUPAC2-nitro-N-quinolin-8-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C15H11N3O4S/c19-18(20)13-8-1-2-9-14(13)23(21,22)17-12-7-3-5-11-6-4-10-16-15(11)12/h1-10,17H
InChIKeyYCXUFEOBLVZNAP-UHFFFAOYSA-N
MW329.34 g/mol
LogP2.94
Rot. Bonds4

About 2-nitro-N-quinolin-8-ylbenzenesulfonamide

2-nitro-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 739449) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-nitro-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-quinolin-8-ylbenzenesulfonamide
PubChem CID739449
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC Name2-nitro-N-quinolin-8-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C15H11N3O4S/c19-18(20)13-8-1-2-9-14(13)23(21,22)17-12-7-3-5-11-6-4-10-16-15(11)12/h1-10,17H
InChIKeyYCXUFEOBLVZNAP-UHFFFAOYSA-N
XLogP2.94
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 2-nitro-N-quinolin-8-ylbenzenesulfonamide (CID 739449) is 2-nitro-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 2-nitro-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 2-nitro-N-quinolin-8-ylbenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-nitro-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is YCXUFEOBLVZNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S/c19-18(20)13-8-1-2-9-14(13)23(21,22)17-12-7-3-5-11-6-4-10-16-15(11)12/h1-10,17H.
What are the key properties of 2-nitro-N-quinolin-8-ylbenzenesulfonamide?
2-nitro-N-quinolin-8-ylbenzenesulfonamide has a molecular weight of 329.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 739449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).