3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide

C12H8FIN2O4S — CID 115584207

IUPAC3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cccc(I)c1
InChIInChI=1S/C12H8FIN2O4S/c13-10-5-2-6-11(12(10)16(17)18)21(19,20)15-9-4-1-3-8(14)7-9/h1-7,15H
InChIKeyQMQPQISJEHBXEO-UHFFFAOYSA-N
MW422.18 g/mol
LogP3.14
Rot. Bonds4

About 3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide

3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide (PubChem CID 115584207) has the molecular formula C12H8FIN2O4S and a molecular weight of 422.18 g/mol. Its IUPAC name is 3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide
PubChem CID115584207
Molecular FormulaC12H8FIN2O4S
Molecular Weight422.18 g/mol
Exact Mass421.92
IUPAC Name3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cccc(I)c1
InChIInChI=1S/C12H8FIN2O4S/c13-10-5-2-6-11(12(10)16(17)18)21(19,20)15-9-4-1-3-8(14)7-9/h1-7,15H
InChIKeyQMQPQISJEHBXEO-UHFFFAOYSA-N
XLogP3.14
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.18
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide 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-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115584203
3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide
CID 112694993
3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 47345276
N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 35971820
3-amino-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 115993300
N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115687638
N-(4-iodophenyl)-2-nitrobenzenesulfonamide
CID 1380183
3-fluoro-N-[(2R)-2-hydroxypropyl]-2-nitrobenzenesulfonamide
CID 113345507
3-fluoro-N-(2-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 112702783
2-fluoro-N-(3-iodophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106029453
3-fluoro-N-[(1-methylsulfanylcyclopropyl)methyl]-2-nitrobenzenesulfonamide
CID 107270988
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115589504

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide (CID 115584207) is 3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide is O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cccc(I)c1.
What is the InChIKey of 3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide?
The InChIKey is QMQPQISJEHBXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FIN2O4S/c13-10-5-2-6-11(12(10)16(17)18)21(19,20)15-9-4-1-3-8(14)7-9/h1-7,15H.
What are the key properties of 3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide?
3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide has a molecular weight of 422.18 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 115584207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).