N-ethyl-2-iodobenzenesulfonamide

C8H10INO2S — CID 626580

IUPACN-ethyl-2-iodobenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1I
InChIInChI=1S/C8H10INO2S/c1-2-10-13(11,12)8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
InChIKeyJCHITCYLMOKQLR-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.59
Rot. Bonds3

About N-ethyl-2-iodobenzenesulfonamide

N-ethyl-2-iodobenzenesulfonamide (PubChem CID 626580) has the molecular formula C8H10INO2S and a molecular weight of 311.14 g/mol. Its IUPAC name is N-ethyl-2-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-iodobenzenesulfonamide
PubChem CID626580
Molecular FormulaC8H10INO2S
Molecular Weight311.14 g/mol
Exact Mass310.95
IUPAC NameN-ethyl-2-iodobenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1I
InChIInChI=1S/C8H10INO2S/c1-2-10-13(11,12)8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
InChIKeyJCHITCYLMOKQLR-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2-iodobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxypropyl)-2-iodobenzenesulfonamide
CID 167755132
2-(ethylsulfamoyl)benzoic acid
CID 18725198
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
1-(2-iodophenyl)sulfonyl-3-propylurea
CID 18987809
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
N-ethyl-9,10-dioxoanthracene-1-sulfonamide
CID 3256725
2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide
CID 63760577
N-ethyl-2-(4-methylpentylamino)benzenesulfonamide
CID 54913733
ethyl 2-(ethylsulfamoyl)benzoate
CID 18338374
3-bromo-2-chloro-N-ethylbenzenesulfonamide
CID 164657063
N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide
CID 54907058

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-iodobenzenesulfonamide?
The IUPAC name of N-ethyl-2-iodobenzenesulfonamide (CID 626580) is N-ethyl-2-iodobenzenesulfonamide.
What is the SMILES notation for N-ethyl-2-iodobenzenesulfonamide?
The canonical SMILES for N-ethyl-2-iodobenzenesulfonamide is CCNS(=O)(=O)c1ccccc1I.
What is the InChIKey of N-ethyl-2-iodobenzenesulfonamide?
The InChIKey is JCHITCYLMOKQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO2S/c1-2-10-13(11,12)8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3.
What are the key properties of N-ethyl-2-iodobenzenesulfonamide?
N-ethyl-2-iodobenzenesulfonamide has a molecular weight of 311.14 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-iodobenzenesulfonamide is sourced from PubChem (CID 626580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).