N-(2-iodoethyl)ethanesulfonamide

C4H10INO2S — CID 22707949

IUPACN-(2-iodoethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCI
InChIInChI=1S/C4H10INO2S/c1-2-9(7,8)6-4-3-5/h6H,2-4H2,1H3
InChIKeyURZURTOPXQVDPY-UHFFFAOYSA-N
MW263.10 g/mol
LogP0.36
Rot. Bonds4

About N-(2-iodoethyl)ethanesulfonamide

N-(2-iodoethyl)ethanesulfonamide (PubChem CID 22707949) has the molecular formula C4H10INO2S and a molecular weight of 263.10 g/mol. Its IUPAC name is N-(2-iodoethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-iodoethyl)ethanesulfonamide
PubChem CID22707949
Molecular FormulaC4H10INO2S
Molecular Weight263.10 g/mol
Exact Mass262.95
IUPAC NameN-(2-iodoethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCI
InChIInChI=1S/C4H10INO2S/c1-2-9(7,8)6-4-3-5/h6H,2-4H2,1H3
InChIKeyURZURTOPXQVDPY-UHFFFAOYSA-N
XLogP0.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.10
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethylethane-1-sulfonamide
CID 3302035
N-(2-Iodoethyl)methanesulfonamide
CID 21344428
n-butyl-N-n-propylsulfonamide
CID 19681138
2-amino-N-methylethanesulfonamide
CID 16765290
N-(2-aminoethyl)ethanesulfonamide
CID 20117292
3-amino-N-methylpropane-1-sulfonamide
CID 58684975
N-(2-fluoroethyl)ethanesulfonamide
CID 126973646
N-propylethanesulfonamide
CID 4449058
N-butylethanesulfonamide
CID 4644117
N-ethyl-1-propanesulfonamide
CID 13343580
N-ethylbutane-1-sulfonamide
CID 13343582
2-amino-N-propylethanesulfonamide
CID 16785918

Frequently Asked Questions

What is the IUPAC name of N-(2-iodoethyl)ethanesulfonamide?
The IUPAC name of N-(2-iodoethyl)ethanesulfonamide (CID 22707949) is N-(2-iodoethyl)ethanesulfonamide.
What is the SMILES notation for N-(2-iodoethyl)ethanesulfonamide?
The canonical SMILES for N-(2-iodoethyl)ethanesulfonamide is CCS(=O)(=O)NCCI.
What is the InChIKey of N-(2-iodoethyl)ethanesulfonamide?
The InChIKey is URZURTOPXQVDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10INO2S/c1-2-9(7,8)6-4-3-5/h6H,2-4H2,1H3.
What are the key properties of N-(2-iodoethyl)ethanesulfonamide?
N-(2-iodoethyl)ethanesulfonamide has a molecular weight of 263.10 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodoethyl)ethanesulfonamide is sourced from PubChem (CID 22707949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).