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

C12H9Cl2IN2O2S — CID 43256705

IUPAC2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C12H9Cl2IN2O2S/c13-7-5-8(14)12(10(16)6-7)20(18,19)17-11-4-2-1-3-9(11)15/h1-6,17H,16H2
InChIKeyBCQQATCDPURLCF-UHFFFAOYSA-N
MW443.09 g/mol
LogP3.98
Rot. Bonds3

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

2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide (PubChem CID 43256705) has the molecular formula C12H9Cl2IN2O2S and a molecular weight of 443.09 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide
PubChem CID43256705
Molecular FormulaC12H9Cl2IN2O2S
Molecular Weight443.09 g/mol
Exact Mass441.88
IUPAC Name2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C12H9Cl2IN2O2S/c13-7-5-8(14)12(10(16)6-7)20(18,19)17-11-4-2-1-3-9(11)15/h1-6,17H,16H2
InChIKeyBCQQATCDPURLCF-UHFFFAOYSA-N
XLogP3.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.09
LogP ≤ 53.98
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-methoxyphenyl)benzenesulfonamide
CID 43256321
2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 43256363
2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 43256501
2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide
CID 43555514
3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide
CID 43124650
3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide
CID 106503720
4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107624642
2-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124657
2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide
CID 43256148
2-amino-4,6-dichloro-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43255926
3-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124659
3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide
CID 106030300

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide (CID 43256705) is 2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide is Nc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccccc1I.
What is the InChIKey of 2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide?
The InChIKey is BCQQATCDPURLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2IN2O2S/c13-7-5-8(14)12(10(16)6-7)20(18,19)17-11-4-2-1-3-9(11)15/h1-6,17H,16H2.
What are the key properties of 2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide has a molecular weight of 443.09 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 43256705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).