4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide

C12H8Cl3IN2O2S — CID 107624642

IUPAC4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2I)c(Cl)c1
InChIInChI=1S/C12H8Cl3IN2O2S/c13-6-1-2-11(10(16)3-6)18-21(19,20)12-8(14)4-7(17)5-9(12)15/h1-5,18H,17H2
InChIKeyFCXZZSLWUMSLEI-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.63
Rot. Bonds3

About 4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide

4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide (PubChem CID 107624642) has the molecular formula C12H8Cl3IN2O2S and a molecular weight of 477.54 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide
PubChem CID107624642
Molecular FormulaC12H8Cl3IN2O2S
Molecular Weight477.54 g/mol
Exact Mass475.84
IUPAC Name4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2I)c(Cl)c1
InChIInChI=1S/C12H8Cl3IN2O2S/c13-6-1-2-11(10(16)3-6)18-21(19,20)12-8(14)4-7(17)5-9(12)15/h1-5,18H,17H2
InChIKeyFCXZZSLWUMSLEI-UHFFFAOYSA-N
XLogP4.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 43256363
5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 107624570
4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471931
4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide
CID 107624554
3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide
CID 107624597
2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide
CID 43256705
5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 107624631
4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide
CID 43257455
4-amino-2,6-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 43258680
3-amino-N-(4-chloro-2-iodophenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 107624621
4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79569031
2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 106087423

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide (CID 107624642) is 4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide is Nc1cc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2I)c(Cl)c1.
What is the InChIKey of 4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide?
The InChIKey is FCXZZSLWUMSLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3IN2O2S/c13-6-1-2-11(10(16)3-6)18-21(19,20)12-8(14)4-7(17)5-9(12)15/h1-5,18H,17H2.
What are the key properties of 4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide has a molecular weight of 477.54 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 107624642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).