2-amino-3-nitroquinoline-4-sulfonamide

C9H8N4O4S — CID 19034738

IUPAC2-amino-3-nitroquinoline-4-sulfonamide
SMILESNc1nc2ccccc2c(S(N)(=O)=O)c1[N+](=O)[O-]
InChIInChI=1S/C9H8N4O4S/c10-9-7(13(14)15)8(18(11,16)17)5-3-1-2-4-6(5)12-9/h1-4H,(H2,10,12)(H2,11,16,17)
InChIKeyQRDOTUQWWQHDBV-UHFFFAOYSA-N
MW268.25 g/mol
LogP0.37
Rot. Bonds2

About 2-amino-3-nitroquinoline-4-sulfonamide

2-amino-3-nitroquinoline-4-sulfonamide (PubChem CID 19034738) has the molecular formula C9H8N4O4S and a molecular weight of 268.25 g/mol. Its IUPAC name is 2-amino-3-nitroquinoline-4-sulfonamide.

Molecular Properties

Compound Name2-amino-3-nitroquinoline-4-sulfonamide
PubChem CID19034738
Molecular FormulaC9H8N4O4S
Molecular Weight268.25 g/mol
Exact Mass268.03
IUPAC Name2-amino-3-nitroquinoline-4-sulfonamide
SMILESNc1nc2ccccc2c(S(N)(=O)=O)c1[N+](=O)[O-]
InChIInChI=1S/C9H8N4O4S/c10-9-7(13(14)15)8(18(11,16)17)5-3-1-2-4-6(5)12-9/h1-4H,(H2,10,12)(H2,11,16,17)
InChIKeyQRDOTUQWWQHDBV-UHFFFAOYSA-N
XLogP0.37
TPSA142.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-3-nitroquinoline-4-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-nitroquinoline-4-sulfonamide?
The IUPAC name of 2-amino-3-nitroquinoline-4-sulfonamide (CID 19034738) is 2-amino-3-nitroquinoline-4-sulfonamide.
What is the SMILES notation for 2-amino-3-nitroquinoline-4-sulfonamide?
The canonical SMILES for 2-amino-3-nitroquinoline-4-sulfonamide is Nc1nc2ccccc2c(S(N)(=O)=O)c1[N+](=O)[O-].
What is the InChIKey of 2-amino-3-nitroquinoline-4-sulfonamide?
The InChIKey is QRDOTUQWWQHDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O4S/c10-9-7(13(14)15)8(18(11,16)17)5-3-1-2-4-6(5)12-9/h1-4H,(H2,10,12)(H2,11,16,17).
What are the key properties of 2-amino-3-nitroquinoline-4-sulfonamide?
2-amino-3-nitroquinoline-4-sulfonamide has a molecular weight of 268.25 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-nitroquinoline-4-sulfonamide is sourced from PubChem (CID 19034738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).