N-(2-iodophenyl)ethanesulfonamide

C8H10INO2S — CID 6468386

IUPACN-(2-iodophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C8H10INO2S/c1-2-13(11,12)10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
InChIKeyPQAQWRRGAHLOBQ-UHFFFAOYSA-N
MW311.14 g/mol
LogP2.05
Rot. Bonds3

About N-(2-iodophenyl)ethanesulfonamide

N-(2-iodophenyl)ethanesulfonamide (PubChem CID 6468386) has the molecular formula C8H10INO2S and a molecular weight of 311.14 g/mol. Its IUPAC name is N-(2-iodophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-iodophenyl)ethanesulfonamide
PubChem CID6468386
Molecular FormulaC8H10INO2S
Molecular Weight311.14 g/mol
Exact Mass310.95
IUPAC NameN-(2-iodophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C8H10INO2S/c1-2-13(11,12)10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
InChIKeyPQAQWRRGAHLOBQ-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103727880
N-(2-iodophenyl)sulfamoyl iodide
CID 155206328
N-(2-iodophenyl)-2-phenylethanesulfonamide
CID 47177540
N-(2-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106030313
N-(2-iodophenyl)benzenesulfonamide
CID 632219
N-(2-iodophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106030243
N-(2-pyridin-4-ylphenyl)ethanesulfonamide
CID 86799036
N-(2,3-difluorophenyl)ethanesulfonamide
CID 64586893
2-[(2-iodophenyl)sulfamoylmethyl]benzenecarbothioamide
CID 28978442
N-[2-(3-methylbutyl)phenyl]ethanesulfonamide
CID 59755785
2-iodo-N-(2-methylsulfonylethyl)aniline
CID 60917001
CID 101066034
CID 101066034

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)ethanesulfonamide?
The IUPAC name of N-(2-iodophenyl)ethanesulfonamide (CID 6468386) is N-(2-iodophenyl)ethanesulfonamide.
What is the SMILES notation for N-(2-iodophenyl)ethanesulfonamide?
The canonical SMILES for N-(2-iodophenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)ethanesulfonamide?
The InChIKey is PQAQWRRGAHLOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO2S/c1-2-13(11,12)10-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3.
What are the key properties of N-(2-iodophenyl)ethanesulfonamide?
N-(2-iodophenyl)ethanesulfonamide has a molecular weight of 311.14 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)ethanesulfonamide is sourced from PubChem (CID 6468386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).