2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide

C12H10FIN2O2S — CID 54888611

IUPAC2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H10FIN2O2S/c13-8-1-6-11(15)12(7-8)19(17,18)16-10-4-2-9(14)3-5-10/h1-7,16H,15H2
InChIKeyUGBKANQRMIGVTO-UHFFFAOYSA-N
MW392.19 g/mol
LogP2.81
Rot. Bonds3

About 2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide

2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide (PubChem CID 54888611) has the molecular formula C12H10FIN2O2S and a molecular weight of 392.19 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide
PubChem CID54888611
Molecular FormulaC12H10FIN2O2S
Molecular Weight392.19 g/mol
Exact Mass391.95
IUPAC Name2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H10FIN2O2S/c13-8-1-6-11(15)12(7-8)19(17,18)16-10-4-2-9(14)3-5-10/h1-7,16H,15H2
InChIKeyUGBKANQRMIGVTO-UHFFFAOYSA-N
XLogP2.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.19
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281
2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66351438
2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987
2-amino-5-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 60985991
3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide
CID 61107352
4-fluoro-2-[(4-iodophenyl)methylsulfonyl]aniline
CID 81182836
N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide
CID 82862185
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701
2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841
2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide
CID 61472212
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzenesulfonamide
CID 60986095
N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399595

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide (CID 54888611) is 2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide is Nc1ccc(F)cc1S(=O)(=O)Nc1ccc(I)cc1.
What is the InChIKey of 2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide?
The InChIKey is UGBKANQRMIGVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FIN2O2S/c13-8-1-6-11(15)12(7-8)19(17,18)16-10-4-2-9(14)3-5-10/h1-7,16H,15H2.
What are the key properties of 2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide?
2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide has a molecular weight of 392.19 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 54888611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).