N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide

C13H11ClINO3S — CID 103764001

IUPACN-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2I)cc1
InChIInChI=1S/C13H11ClINO3S/c1-19-10-3-5-11(6-4-10)20(17,18)16-13-7-2-9(14)8-12(13)15/h2-8,16H,1H3
InChIKeyJCMCWKIUVHUGSN-UHFFFAOYSA-N
MW423.66 g/mol
LogP3.75
Rot. Bonds4

About N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide

N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide (PubChem CID 103764001) has the molecular formula C13H11ClINO3S and a molecular weight of 423.66 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide
PubChem CID103764001
Molecular FormulaC13H11ClINO3S
Molecular Weight423.66 g/mol
Exact Mass422.92
IUPAC NameN-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2I)cc1
InChIInChI=1S/C13H11ClINO3S/c1-19-10-3-5-11(6-4-10)20(17,18)16-13-7-2-9(14)8-12(13)15/h2-8,16H,1H3
InChIKeyJCMCWKIUVHUGSN-UHFFFAOYSA-N
XLogP3.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.66
LogP ≤ 53.75
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

N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 103763982
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107629608
N-(5-chloro-2-methoxyphenyl)-6-methoxynaphthalene-2-sulfonamide
CID 100666504
4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide
CID 107624554
N-(4-chloro-2-methoxyphenyl)-4-ethoxybenzenesulfonamide
CID 155537500
N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107630680
N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 2477654
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 4647727
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 82721249

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide (CID 103764001) is N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2I)cc1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is JCMCWKIUVHUGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINO3S/c1-19-10-3-5-11(6-4-10)20(17,18)16-13-7-2-9(14)8-12(13)15/h2-8,16H,1H3.
What are the key properties of N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide?
N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide has a molecular weight of 423.66 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 103764001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).