N-(2-iodophenyl)-2-phenylethanesulfonamide

C14H14INO2S — CID 47177540

IUPACN-(2-iodophenyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccccc1I
InChIInChI=1S/C14H14INO2S/c15-13-8-4-5-9-14(13)16-19(17,18)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKeyQNZFGSJDSWUCDV-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.28
Rot. Bonds5

About N-(2-iodophenyl)-2-phenylethanesulfonamide

N-(2-iodophenyl)-2-phenylethanesulfonamide (PubChem CID 47177540) has the molecular formula C14H14INO2S and a molecular weight of 387.24 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-phenylethanesulfonamide
PubChem CID47177540
Molecular FormulaC14H14INO2S
Molecular Weight387.24 g/mol
Exact Mass386.98
IUPAC NameN-(2-iodophenyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccccc1I
InChIInChI=1S/C14H14INO2S/c15-13-8-4-5-9-14(13)16-19(17,18)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKeyQNZFGSJDSWUCDV-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.28
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)ethanesulfonamide
CID 6468386
N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103727880
2-(2-phenylethylsulfonylamino)benzamide
CID 110756518
N-[2-(1-bromoethyl)phenyl]-2-phenylethanesulfonamide
CID 114294158
N-(3-iodophenyl)-2-phenylethanesulfonamide
CID 47309570
3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740639
N-(2-hydroxy-4-methylphenyl)-2-phenylethanesulfonamide
CID 80686702
N-(2-iodophenyl)sulfamoyl iodide
CID 155206328
N-(2-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80970637
N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide
CID 79001394
N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide
CID 112987053
N-(2-iodophenyl)benzenesulfonamide
CID 632219

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(2-iodophenyl)-2-phenylethanesulfonamide (CID 47177540) is N-(2-iodophenyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(2-iodophenyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(2-iodophenyl)-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-2-phenylethanesulfonamide?
The InChIKey is QNZFGSJDSWUCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2S/c15-13-8-4-5-9-14(13)16-19(17,18)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2.
What are the key properties of N-(2-iodophenyl)-2-phenylethanesulfonamide?
N-(2-iodophenyl)-2-phenylethanesulfonamide has a molecular weight of 387.24 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 47177540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).