4-chloro-N-(4-chlorophenyl)-2-iodobenzenesulfonamide

C12H8Cl2INO2S — CID 581191

IUPAC4-chloro-N-(4-chlorophenyl)-2-iodobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1I
InChIInChI=1S/C12H8Cl2INO2S/c13-8-1-4-10(5-2-8)16-19(17,18)12-6-3-9(14)7-11(12)15/h1-7,16H
InChIKeyGGBIBRKBHXOMFG-UHFFFAOYSA-N
MW428.08 g/mol
LogP4.40
Rot. Bonds3

About 4-chloro-N-(4-chlorophenyl)-2-iodobenzenesulfonamide

4-chloro-N-(4-chlorophenyl)-2-iodobenzenesulfonamide (PubChem CID 581191) has the molecular formula C12H8Cl2INO2S and a molecular weight of 428.08 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-2-iodobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-2-iodobenzenesulfonamide
PubChem CID581191
Molecular FormulaC12H8Cl2INO2S
Molecular Weight428.08 g/mol
Exact Mass426.87
IUPAC Name4-chloro-N-(4-chlorophenyl)-2-iodobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1I
InChIInChI=1S/C12H8Cl2INO2S/c13-8-1-4-10(5-2-8)16-19(17,18)12-6-3-9(14)7-11(12)15/h1-7,16H
InChIKeyGGBIBRKBHXOMFG-UHFFFAOYSA-N
XLogP4.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.08
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841
4-chloro-2-iodobenzenesulfonamide
CID 2824891
2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
4-chloro-N-(3-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 4849983
2,4,5-trichloro-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202651
5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 43255417
2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 28549919
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
3-amino-2-bromo-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 62955301
4-chloro-N-(3,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 123943887

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-2-iodobenzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-2-iodobenzenesulfonamide (CID 581191) is 4-chloro-N-(4-chlorophenyl)-2-iodobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-2-iodobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-2-iodobenzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1I.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-2-iodobenzenesulfonamide?
The InChIKey is GGBIBRKBHXOMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2INO2S/c13-8-1-4-10(5-2-8)16-19(17,18)12-6-3-9(14)7-11(12)15/h1-7,16H.
What are the key properties of 4-chloro-N-(4-chlorophenyl)-2-iodobenzenesulfonamide?
4-chloro-N-(4-chlorophenyl)-2-iodobenzenesulfonamide has a molecular weight of 428.08 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-2-iodobenzenesulfonamide is sourced from PubChem (CID 581191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).