N-(2-iodoethyl)benzenesulfonamide

C8H10INO2S — CID 68718657

IUPACN-(2-iodoethyl)benzenesulfonamide
SMILESO=S(=O)(NCCI)c1ccccc1
InChIInChI=1S/C8H10INO2S/c9-6-7-10-13(11,12)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyKPPIRKCJALTHDL-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.40
Rot. Bonds4

About N-(2-iodoethyl)benzenesulfonamide

N-(2-iodoethyl)benzenesulfonamide (PubChem CID 68718657) has the molecular formula C8H10INO2S and a molecular weight of 311.14 g/mol. Its IUPAC name is N-(2-iodoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-iodoethyl)benzenesulfonamide
PubChem CID68718657
Molecular FormulaC8H10INO2S
Molecular Weight311.14 g/mol
Exact Mass310.95
IUPAC NameN-(2-iodoethyl)benzenesulfonamide
SMILESO=S(=O)(NCCI)c1ccccc1
InChIInChI=1S/C8H10INO2S/c9-6-7-10-13(11,12)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyKPPIRKCJALTHDL-UHFFFAOYSA-N
XLogP1.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.40
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-(4-iodobutyl)benzenesulfonamide
CID 106846581
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-(benzenesulfonylmethyl)benzenesulfonamide
CID 23452744
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
4-(cyanomethyl)-N-(2-iodoethyl)benzenesulfonamide
CID 106442148
N-tridecylbenzenesulfonamide
CID 3514704
N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 113065032
N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide
CID 11584206
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462

Frequently Asked Questions

What is the IUPAC name of N-(2-iodoethyl)benzenesulfonamide?
The IUPAC name of N-(2-iodoethyl)benzenesulfonamide (CID 68718657) is N-(2-iodoethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-iodoethyl)benzenesulfonamide?
The canonical SMILES for N-(2-iodoethyl)benzenesulfonamide is O=S(=O)(NCCI)c1ccccc1.
What is the InChIKey of N-(2-iodoethyl)benzenesulfonamide?
The InChIKey is KPPIRKCJALTHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO2S/c9-6-7-10-13(11,12)8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of N-(2-iodoethyl)benzenesulfonamide?
N-(2-iodoethyl)benzenesulfonamide has a molecular weight of 311.14 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodoethyl)benzenesulfonamide is sourced from PubChem (CID 68718657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).