2-amino-3-iodobenzenesulfonamide

C6H7IN2O2S — CID 118996244

IUPAC2-amino-3-iodobenzenesulfonamide
SMILESNc1c(I)cccc1S(N)(=O)=O
InChIInChI=1S/C6H7IN2O2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKeySUNRJEGUAVPBBY-UHFFFAOYSA-N
MW298.11 g/mol
LogP0.52
Rot. Bonds1

About 2-amino-3-iodobenzenesulfonamide

2-amino-3-iodobenzenesulfonamide (PubChem CID 118996244) has the molecular formula C6H7IN2O2S and a molecular weight of 298.11 g/mol. Its IUPAC name is 2-amino-3-iodobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-iodobenzenesulfonamide
PubChem CID118996244
Molecular FormulaC6H7IN2O2S
Molecular Weight298.11 g/mol
Exact Mass297.93
IUPAC Name2-amino-3-iodobenzenesulfonamide
SMILESNc1c(I)cccc1S(N)(=O)=O
InChIInChI=1S/C6H7IN2O2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKeySUNRJEGUAVPBBY-UHFFFAOYSA-N
XLogP0.52
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 50.52
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-3-iodobenzenesulfonamide?
The IUPAC name of 2-amino-3-iodobenzenesulfonamide (CID 118996244) is 2-amino-3-iodobenzenesulfonamide.
What is the SMILES notation for 2-amino-3-iodobenzenesulfonamide?
The canonical SMILES for 2-amino-3-iodobenzenesulfonamide is Nc1c(I)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-iodobenzenesulfonamide?
The InChIKey is SUNRJEGUAVPBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,8H2,(H2,9,10,11).
What are the key properties of 2-amino-3-iodobenzenesulfonamide?
2-amino-3-iodobenzenesulfonamide has a molecular weight of 298.11 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-iodobenzenesulfonamide is sourced from PubChem (CID 118996244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).