N-(2-iodophenyl)methanesulfonamide

C7H8INO2S — CID 780001

IUPACN-(2-iodophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C7H8INO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKeyLDYJASRWKZXTBH-UHFFFAOYSA-N
MW297.12 g/mol
LogP1.66
Rot. Bonds2

About N-(2-iodophenyl)methanesulfonamide

N-(2-iodophenyl)methanesulfonamide (PubChem CID 780001) has the molecular formula C7H8INO2S and a molecular weight of 297.12 g/mol. Its IUPAC name is N-(2-iodophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-iodophenyl)methanesulfonamide
PubChem CID780001
Molecular FormulaC7H8INO2S
Molecular Weight297.12 g/mol
Exact Mass296.93
IUPAC NameN-(2-iodophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C7H8INO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKeyLDYJASRWKZXTBH-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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 N-(2-iodophenyl)methanesulfonamide?
The IUPAC name of N-(2-iodophenyl)methanesulfonamide (CID 780001) is N-(2-iodophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-iodophenyl)methanesulfonamide?
The canonical SMILES for N-(2-iodophenyl)methanesulfonamide is CS(=O)(=O)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)methanesulfonamide?
The InChIKey is LDYJASRWKZXTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3.
What are the key properties of N-(2-iodophenyl)methanesulfonamide?
N-(2-iodophenyl)methanesulfonamide has a molecular weight of 297.12 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)methanesulfonamide is sourced from PubChem (CID 780001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).