1-iodosyl-4-phenylbenzene;sulfamide

C12H13IN2O3S — CID 23357579

IUPAC1-iodosyl-4-phenylbenzene;sulfamide
SMILESNS(N)(=O)=O.O=Ic1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9IO.H4N2O2S/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-5(2,3)4/h1-9H;(H4,1,2,3,4)
InChIKeyXWURYPSURKVURP-UHFFFAOYSA-N
MW392.22 g/mol
LogP1.99
Rot. Bonds2

About 1-iodosyl-4-phenylbenzene;sulfamide

1-iodosyl-4-phenylbenzene;sulfamide (PubChem CID 23357579) has the molecular formula C12H13IN2O3S and a molecular weight of 392.22 g/mol. Its IUPAC name is 1-iodosyl-4-phenylbenzene;sulfamide.

Molecular Properties

Compound Name1-iodosyl-4-phenylbenzene;sulfamide
PubChem CID23357579
Molecular FormulaC12H13IN2O3S
Molecular Weight392.22 g/mol
Exact Mass391.97
IUPAC Name1-iodosyl-4-phenylbenzene;sulfamide
SMILESNS(N)(=O)=O.O=Ic1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9IO.H4N2O2S/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-5(2,3)4/h1-9H;(H4,1,2,3,4)
InChIKeyXWURYPSURKVURP-UHFFFAOYSA-N
XLogP1.99
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.22
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodosyl-4-phenylbenzene;sulfamide?
The IUPAC name of 1-iodosyl-4-phenylbenzene;sulfamide (CID 23357579) is 1-iodosyl-4-phenylbenzene;sulfamide.
What is the SMILES notation for 1-iodosyl-4-phenylbenzene;sulfamide?
The canonical SMILES for 1-iodosyl-4-phenylbenzene;sulfamide is NS(N)(=O)=O.O=Ic1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-iodosyl-4-phenylbenzene;sulfamide?
The InChIKey is XWURYPSURKVURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IO.H4N2O2S/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-5(2,3)4/h1-9H;(H4,1,2,3,4).
What are the key properties of 1-iodosyl-4-phenylbenzene;sulfamide?
1-iodosyl-4-phenylbenzene;sulfamide has a molecular weight of 392.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodosyl-4-phenylbenzene;sulfamide is sourced from PubChem (CID 23357579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).