1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline

C15H14N2O4S — CID 583396

IUPAC1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H14N2O4S/c18-17(19)14-9-3-4-10-15(14)22(20,21)16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10H,5,7,11H2
InChIKeyQJYQBYCCIMJSSA-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.74
Rot. Bonds3

About 1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline

1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 583396) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID583396
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C15H14N2O4S/c18-17(19)14-9-3-4-10-15(14)22(20,21)16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10H,5,7,11H2
InChIKeyQJYQBYCCIMJSSA-UHFFFAOYSA-N
XLogP2.74
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline 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

1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2078021
4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)aniline
CID 221221
1-Benzyl-4-(2-nitrophenyl)sulfonylpiperazine
CID 1049874
1-(Phenylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 225584
1-(2-Nitrophenyl)sulfonyl-4-phenylpiperazine
CID 779470
1-Tosyl-1,2,3,4-tetrahydroquinoline
CID 726531
N-benzyl-N-methyl-2-nitrobenzenesulfonamide
CID 818671
1,2,3,4-Tetrahydro-1-((4-nitrophenyl)sulfonyl)quinoline
CID 583393
1-((2-Nitrophenyl)sulfonyl)indoline
CID 818662
2-(2-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 739818
4-(4-nitrobenzyl)-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 2151543
1-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2367813

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 583396) is 1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline is O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is QJYQBYCCIMJSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-17(19)14-9-3-4-10-15(14)22(20,21)16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10H,5,7,11H2.
What are the key properties of 1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 318.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 583396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).