N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide

C11H15IN2O2S — CID 66183635

IUPACN-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C11H15IN2O2S/c1-2-14(10-7-13-8-10)17(15,16)11-5-3-9(12)4-6-11/h3-6,10,13H,2,7-8H2,1H3
InChIKeyWLEYNTWABMQTBK-UHFFFAOYSA-N
MW366.22 g/mol
LogP1.27
Rot. Bonds4

About N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide

N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide (PubChem CID 66183635) has the molecular formula C11H15IN2O2S and a molecular weight of 366.22 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide
PubChem CID66183635
Molecular FormulaC11H15IN2O2S
Molecular Weight366.22 g/mol
Exact Mass365.99
IUPAC NameN-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C11H15IN2O2S/c1-2-14(10-7-13-8-10)17(15,16)11-5-3-9(12)4-6-11/h3-6,10,13H,2,7-8H2,1H3
InChIKeyWLEYNTWABMQTBK-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide (CID 66183635) is N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide is CCN(C1CNC1)S(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide?
The InChIKey is WLEYNTWABMQTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O2S/c1-2-14(10-7-13-8-10)17(15,16)11-5-3-9(12)4-6-11/h3-6,10,13H,2,7-8H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide?
N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide has a molecular weight of 366.22 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide is sourced from PubChem (CID 66183635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).