2-iodo-N-methylbenzenesulfonamide

C7H8INO2S — CID 2824893

IUPAC2-iodo-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1I
InChIInChI=1S/C7H8INO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKeyJTVZZAJTWRMQJX-UHFFFAOYSA-N
MW297.12 g/mol
LogP1.20
Rot. Bonds2

About 2-iodo-N-methylbenzenesulfonamide

2-iodo-N-methylbenzenesulfonamide (PubChem CID 2824893) has the molecular formula C7H8INO2S and a molecular weight of 297.12 g/mol. Its IUPAC name is 2-iodo-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-iodo-N-methylbenzenesulfonamide
PubChem CID2824893
Molecular FormulaC7H8INO2S
Molecular Weight297.12 g/mol
Exact Mass296.93
IUPAC Name2-iodo-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1I
InChIInChI=1S/C7H8INO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKeyJTVZZAJTWRMQJX-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-methylbenzenesulfonamide?
The IUPAC name of 2-iodo-N-methylbenzenesulfonamide (CID 2824893) is 2-iodo-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-iodo-N-methylbenzenesulfonamide?
The canonical SMILES for 2-iodo-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-methylbenzenesulfonamide?
The InChIKey is JTVZZAJTWRMQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3.
What are the key properties of 2-iodo-N-methylbenzenesulfonamide?
2-iodo-N-methylbenzenesulfonamide has a molecular weight of 297.12 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-methylbenzenesulfonamide is sourced from PubChem (CID 2824893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).