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

C12H10FIN2O2S — CID 79768613

IUPAC3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(F)cc2I)c1
InChIInChI=1S/C12H10FIN2O2S/c13-8-4-5-12(11(14)6-8)16-19(17,18)10-3-1-2-9(15)7-10/h1-7,16H,15H2
InChIKeyICGCAGJDIOMUSZ-UHFFFAOYSA-N
MW392.19 g/mol
LogP2.81
Rot. Bonds3

About 3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide

3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide (PubChem CID 79768613) has the molecular formula C12H10FIN2O2S and a molecular weight of 392.19 g/mol. Its IUPAC name is 3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
PubChem CID79768613
Molecular FormulaC12H10FIN2O2S
Molecular Weight392.19 g/mol
Exact Mass391.95
IUPAC Name3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(F)cc2I)c1
InChIInChI=1S/C12H10FIN2O2S/c13-8-4-5-12(11(14)6-8)16-19(17,18)10-3-1-2-9(15)7-10/h1-7,16H,15H2
InChIKeyICGCAGJDIOMUSZ-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

3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210
3-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124659
3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79766974
5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide
CID 79757817
4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79771301
5-amino-2-fluoro-N-(4-fluoro-2-iodophenyl)-3-methylbenzenesulfonamide
CID 80640992
N-(2-amino-4-fluorophenyl)benzenesulfonamide
CID 16778352
N-(2-amino-4-bromophenyl)-3-fluorobenzenesulfonamide
CID 29008434
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
CID 63258167
3-amino-N-(5-bromo-4-fluoro-2-methylphenyl)benzenesulfonamide
CID 107590908
N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 79760758
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide (CID 79768613) is 3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide is Nc1cccc(S(=O)(=O)Nc2ccc(F)cc2I)c1.
What is the InChIKey of 3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide?
The InChIKey is ICGCAGJDIOMUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FIN2O2S/c13-8-4-5-12(11(14)6-8)16-19(17,18)10-3-1-2-9(15)7-10/h1-7,16H,15H2.
What are the key properties of 3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide?
3-amino-N-(4-fluoro-2-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 3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 79768613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).