2-amino-N-(2-iodophenyl)benzenesulfonamide

C12H11IN2O2S — CID 43124657

IUPAC2-amino-N-(2-iodophenyl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C12H11IN2O2S/c13-9-5-1-3-7-11(9)15-18(16,17)12-8-4-2-6-10(12)14/h1-8,15H,14H2
InChIKeyPRODKEZJXYOAJZ-UHFFFAOYSA-N
MW374.20 g/mol
LogP2.67
Rot. Bonds3

About 2-amino-N-(2-iodophenyl)benzenesulfonamide

2-amino-N-(2-iodophenyl)benzenesulfonamide (PubChem CID 43124657) has the molecular formula C12H11IN2O2S and a molecular weight of 374.20 g/mol. Its IUPAC name is 2-amino-N-(2-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-iodophenyl)benzenesulfonamide
PubChem CID43124657
Molecular FormulaC12H11IN2O2S
Molecular Weight374.20 g/mol
Exact Mass373.96
IUPAC Name2-amino-N-(2-iodophenyl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C12H11IN2O2S/c13-9-5-1-3-7-11(9)15-18(16,17)12-8-4-2-6-10(12)14/h1-8,15H,14H2
InChIKeyPRODKEZJXYOAJZ-UHFFFAOYSA-N
XLogP2.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.20
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-iodophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(2-iodophenyl)benzenesulfonamide (CID 43124657) is 2-amino-N-(2-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-iodophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-iodophenyl)benzenesulfonamide is Nc1ccccc1S(=O)(=O)Nc1ccccc1I.
What is the InChIKey of 2-amino-N-(2-iodophenyl)benzenesulfonamide?
The InChIKey is PRODKEZJXYOAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O2S/c13-9-5-1-3-7-11(9)15-18(16,17)12-8-4-2-6-10(12)14/h1-8,15H,14H2.
What are the key properties of 2-amino-N-(2-iodophenyl)benzenesulfonamide?
2-amino-N-(2-iodophenyl)benzenesulfonamide has a molecular weight of 374.20 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 43124657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).