3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide

C14H14INO4S — CID 1289218

IUPAC3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1I
InChIInChI=1S/C14H14INO4S/c1-19-13-8-7-10(9-11(13)15)21(17,18)16-12-5-3-4-6-14(12)20-2/h3-9,16H,1-2H3
InChIKeyBYQJKIBSAJNBTJ-UHFFFAOYSA-N
MW419.24 g/mol
LogP3.11
Rot. Bonds5

About 3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide

3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 1289218) has the molecular formula C14H14INO4S and a molecular weight of 419.24 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID1289218
Molecular FormulaC14H14INO4S
Molecular Weight419.24 g/mol
Exact Mass418.97
IUPAC Name3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1I
InChIInChI=1S/C14H14INO4S/c1-19-13-8-7-10(9-11(13)15)21(17,18)16-12-5-3-4-6-14(12)20-2/h3-9,16H,1-2H3
InChIKeyBYQJKIBSAJNBTJ-UHFFFAOYSA-N
XLogP3.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-4-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 2984378
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 126412231
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide
CID 106030152
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758242
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 4647727
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157193
N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 16836899
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide (CID 1289218) is 3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1I.
What is the InChIKey of 3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is BYQJKIBSAJNBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO4S/c1-19-13-8-7-10(9-11(13)15)21(17,18)16-12-5-3-4-6-14(12)20-2/h3-9,16H,1-2H3.
What are the key properties of 3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide?
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 419.24 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 1289218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).