4-nitro-N-quinolin-3-ylbenzenesulfonamide

C15H11N3O4S — CID 575793

IUPAC4-nitro-N-quinolin-3-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C15H11N3O4S/c19-18(20)13-5-7-14(8-6-13)23(21,22)17-12-9-11-3-1-2-4-15(11)16-10-12/h1-10,17H
InChIKeyLKRHMKMFRULZMI-UHFFFAOYSA-N
MW329.34 g/mol
LogP2.94
Rot. Bonds4

About 4-nitro-N-quinolin-3-ylbenzenesulfonamide

4-nitro-N-quinolin-3-ylbenzenesulfonamide (PubChem CID 575793) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is 4-nitro-N-quinolin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-quinolin-3-ylbenzenesulfonamide
PubChem CID575793
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC Name4-nitro-N-quinolin-3-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1
InChIInChI=1S/C15H11N3O4S/c19-18(20)13-5-7-14(8-6-13)23(21,22)17-12-9-11-3-1-2-4-15(11)16-10-12/h1-10,17H
InChIKeyLKRHMKMFRULZMI-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'}

Analyze 4-nitro-N-quinolin-3-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(Quinolin-8-yl)benzenesulfonamide
CID 161167
8-(p-Toluenesulfonylamino)quinoline
CID 82533
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
2-nitro-N-(quinolin-8-yl)benzenesulfonamide
CID 739449
3-Nitroquinoline
CID 25551
N-(4-((8-Quinolinylamino)sulfonyl)phenyl)acetamide
CID 788569
2-Amino-N-quinolin-8-yl-benzenesulfonamide
CID 1070159
5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 659101
4-nitro-N-(quinolin-8-yl)benzenesulfonamide
CID 4453505
4-nitro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 714395
3,5-difluoro-N-(quinolin-8-yl)benzene-1-sulfonamide
CID 8028189
8-((4-Nitrophenyl)thio)quinoline
CID 785610

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-quinolin-3-ylbenzenesulfonamide?
The IUPAC name of 4-nitro-N-quinolin-3-ylbenzenesulfonamide (CID 575793) is 4-nitro-N-quinolin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-nitro-N-quinolin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-nitro-N-quinolin-3-ylbenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-nitro-N-quinolin-3-ylbenzenesulfonamide?
The InChIKey is LKRHMKMFRULZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S/c19-18(20)13-5-7-14(8-6-13)23(21,22)17-12-9-11-3-1-2-4-15(11)16-10-12/h1-10,17H.
What are the key properties of 4-nitro-N-quinolin-3-ylbenzenesulfonamide?
4-nitro-N-quinolin-3-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 4-nitro-N-quinolin-3-ylbenzenesulfonamide is sourced from PubChem (CID 575793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).