4-(4-iodophenoxy)benzenesulfonamide

C12H10INO3S — CID 43164749

IUPAC4-(4-iodophenoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2ccc(I)cc2)cc1
InChIInChI=1S/C12H10INO3S/c13-9-1-3-10(4-2-9)17-11-5-7-12(8-6-11)18(14,15)16/h1-8H,(H2,14,15,16)
InChIKeyFTHUJQLTFGCIBL-UHFFFAOYSA-N
MW375.19 g/mol
LogP2.73
Rot. Bonds3

About 4-(4-iodophenoxy)benzenesulfonamide

4-(4-iodophenoxy)benzenesulfonamide (PubChem CID 43164749) has the molecular formula C12H10INO3S and a molecular weight of 375.19 g/mol. Its IUPAC name is 4-(4-iodophenoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-iodophenoxy)benzenesulfonamide
PubChem CID43164749
Molecular FormulaC12H10INO3S
Molecular Weight375.19 g/mol
Exact Mass374.94
IUPAC Name4-(4-iodophenoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2ccc(I)cc2)cc1
InChIInChI=1S/C12H10INO3S/c13-9-1-3-10(4-2-9)17-11-5-7-12(8-6-11)18(14,15)16/h1-8H,(H2,14,15,16)
InChIKeyFTHUJQLTFGCIBL-UHFFFAOYSA-N
XLogP2.73
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-4-[4-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494530
4-[4-(aminomethyl)phenoxy]benzenesulfonamide
CID 106485731
4-(2-iodophenoxy)benzenesulfonamide
CID 43479680
4-(4-propoxyphenoxy)benzenesulfonamide
CID 43342703
2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate
CID 34125400
4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide
CID 43175694
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
(4-iodophenyl) sulfate
CID 59815397
5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid
CID 63852234
4-(2,4-dichlorophenoxy)benzenesulfonamide
CID 43342686
4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide
CID 114276763
4-(4-iodophenoxy)phenol
CID 12940617

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenoxy)benzenesulfonamide?
The IUPAC name of 4-(4-iodophenoxy)benzenesulfonamide (CID 43164749) is 4-(4-iodophenoxy)benzenesulfonamide.
What is the SMILES notation for 4-(4-iodophenoxy)benzenesulfonamide?
The canonical SMILES for 4-(4-iodophenoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(Oc2ccc(I)cc2)cc1.
What is the InChIKey of 4-(4-iodophenoxy)benzenesulfonamide?
The InChIKey is FTHUJQLTFGCIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO3S/c13-9-1-3-10(4-2-9)17-11-5-7-12(8-6-11)18(14,15)16/h1-8H,(H2,14,15,16).
What are the key properties of 4-(4-iodophenoxy)benzenesulfonamide?
4-(4-iodophenoxy)benzenesulfonamide has a molecular weight of 375.19 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenoxy)benzenesulfonamide is sourced from PubChem (CID 43164749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).