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

C14H14INO3S2 — CID 2984378

IUPAC3-iodo-4-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1I
InChIInChI=1S/C14H14INO3S2/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
InChIKeyRJFRPAULKNKJRW-UHFFFAOYSA-N
MW435.31 g/mol
LogP3.82
Rot. Bonds5

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

3-iodo-4-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 2984378) has the molecular formula C14H14INO3S2 and a molecular weight of 435.31 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
PubChem CID2984378
Molecular FormulaC14H14INO3S2
Molecular Weight435.31 g/mol
Exact Mass434.95
IUPAC Name3-iodo-4-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1I
InChIInChI=1S/C14H14INO3S2/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
InChIKeyRJFRPAULKNKJRW-UHFFFAOYSA-N
XLogP3.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 53.82
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-methoxyphenyl)benzenesulfonamide
CID 1289218
3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 45369226
3-iodo-4-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 1294098
3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide
CID 106030152
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 126412231
4-methoxy-N-(2-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 17200545
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 4647727
3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61107273
2-chloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25391393
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
4-methoxy-3-[(4-methylsulfanylphenyl)sulfonylamino]-N-propan-2-ylbenzenesulfonamide
CID 92678167
1-N,3-N-bis(5-fluoro-2-iodophenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157193

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 3-iodo-4-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide (CID 2984378) is 3-iodo-4-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 3-iodo-4-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1I.
What is the InChIKey of 3-iodo-4-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is RJFRPAULKNKJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO3S2/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-methylsulfanylphenyl)benzenesulfonamide?
3-iodo-4-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 435.31 g/mol, XLogP of 3.82, 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-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 2984378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).