N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide

C12H10INO3S — CID 4254070

IUPACN-(3-hydroxyphenyl)-4-iodobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(O)c1)c1ccc(I)cc1
InChIInChI=1S/C12H10INO3S/c13-9-4-6-12(7-5-9)18(16,17)14-10-2-1-3-11(15)8-10/h1-8,14-15H
InChIKeyYDJDFCRJWLJDKT-UHFFFAOYSA-N
MW375.19 g/mol
LogP2.80
Rot. Bonds3

About N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide

N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide (PubChem CID 4254070) has the molecular formula C12H10INO3S and a molecular weight of 375.19 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-4-iodobenzenesulfonamide
PubChem CID4254070
Molecular FormulaC12H10INO3S
Molecular Weight375.19 g/mol
Exact Mass374.94
IUPAC NameN-(3-hydroxyphenyl)-4-iodobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(O)c1)c1ccc(I)cc1
InChIInChI=1S/C12H10INO3S/c13-9-4-6-12(7-5-9)18(16,17)14-10-2-1-3-11(15)8-10/h1-8,14-15H
InChIKeyYDJDFCRJWLJDKT-UHFFFAOYSA-N
XLogP2.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.19
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid
CID 25035947
N-(3-chlorophenyl)-4-iodobenzenesulfonamide
CID 3419372
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide
CID 10075434
2-[4-[(3-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 61167886
methyl 3-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423389
4-cyclohexyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 18515473
4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide
CID 110454372
3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279
3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166904
3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 56688809
2-hydroxy-5-[(3-hydroxyphenyl)sulfamoyl]benzamide
CID 130406151

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide?
The IUPAC name of N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide (CID 4254070) is N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide?
The canonical SMILES for N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide is O=S(=O)(Nc1cccc(O)c1)c1ccc(I)cc1.
What is the InChIKey of N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide?
The InChIKey is YDJDFCRJWLJDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO3S/c13-9-4-6-12(7-5-9)18(16,17)14-10-2-1-3-11(15)8-10/h1-8,14-15H.
What are the key properties of N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide?
N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide has a molecular weight of 375.19 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide is sourced from PubChem (CID 4254070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).