4-nitro-N-prop-2-enylquinoline-2-sulfonamide

C12H11N3O4S — CID 67637230

IUPAC4-nitro-N-prop-2-enylquinoline-2-sulfonamide
SMILESC=CCNS(=O)(=O)c1cc([N+](=O)[O-])c2ccccc2n1
InChIInChI=1S/C12H11N3O4S/c1-2-7-13-20(18,19)12-8-11(15(16)17)9-5-3-4-6-10(9)14-12/h2-6,8,13H,1,7H2
InChIKeyGZAOFXOGROMYDH-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.61
Rot. Bonds5

About 4-nitro-N-prop-2-enylquinoline-2-sulfonamide

4-nitro-N-prop-2-enylquinoline-2-sulfonamide (PubChem CID 67637230) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 4-nitro-N-prop-2-enylquinoline-2-sulfonamide.

Molecular Properties

Compound Name4-nitro-N-prop-2-enylquinoline-2-sulfonamide
PubChem CID67637230
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name4-nitro-N-prop-2-enylquinoline-2-sulfonamide
SMILESC=CCNS(=O)(=O)c1cc([N+](=O)[O-])c2ccccc2n1
InChIInChI=1S/C12H11N3O4S/c1-2-7-13-20(18,19)12-8-11(15(16)17)9-5-3-4-6-10(9)14-12/h2-6,8,13H,1,7H2
InChIKeyGZAOFXOGROMYDH-UHFFFAOYSA-N
XLogP1.61
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-nitro-N-prop-2-enylquinoline-2-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 4-nitro-N-prop-2-enylquinoline-2-sulfonamide?
The IUPAC name of 4-nitro-N-prop-2-enylquinoline-2-sulfonamide (CID 67637230) is 4-nitro-N-prop-2-enylquinoline-2-sulfonamide.
What is the SMILES notation for 4-nitro-N-prop-2-enylquinoline-2-sulfonamide?
The canonical SMILES for 4-nitro-N-prop-2-enylquinoline-2-sulfonamide is C=CCNS(=O)(=O)c1cc([N+](=O)[O-])c2ccccc2n1.
What is the InChIKey of 4-nitro-N-prop-2-enylquinoline-2-sulfonamide?
The InChIKey is GZAOFXOGROMYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-2-7-13-20(18,19)12-8-11(15(16)17)9-5-3-4-6-10(9)14-12/h2-6,8,13H,1,7H2.
What are the key properties of 4-nitro-N-prop-2-enylquinoline-2-sulfonamide?
4-nitro-N-prop-2-enylquinoline-2-sulfonamide has a molecular weight of 293.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-prop-2-enylquinoline-2-sulfonamide is sourced from PubChem (CID 67637230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).