2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide

C7H14ClNO3S — CID 107652467

IUPAC2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide
SMILESCC1(NS(=O)(=O)CCCl)CCOC1
InChIInChI=1S/C7H14ClNO3S/c1-7(2-4-12-6-7)9-13(10,11)5-3-8/h9H,2-6H2,1H3
InChIKeyYRAFKJQDENBVIP-UHFFFAOYSA-N
MW227.71 g/mol
LogP0.32
Rot. Bonds4

About 2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide

2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide (PubChem CID 107652467) has the molecular formula C7H14ClNO3S and a molecular weight of 227.71 g/mol. Its IUPAC name is 2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide
PubChem CID107652467
Molecular FormulaC7H14ClNO3S
Molecular Weight227.71 g/mol
Exact Mass227.04
IUPAC Name2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide
SMILESCC1(NS(=O)(=O)CCCl)CCOC1
InChIInChI=1S/C7H14ClNO3S/c1-7(2-4-12-6-7)9-13(10,11)5-3-8/h9H,2-6H2,1H3
InChIKeyYRAFKJQDENBVIP-UHFFFAOYSA-N
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide (CID 107652467) is 2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide is CC1(NS(=O)(=O)CCCl)CCOC1.
What is the InChIKey of 2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide?
The InChIKey is YRAFKJQDENBVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO3S/c1-7(2-4-12-6-7)9-13(10,11)5-3-8/h9H,2-6H2,1H3.
What are the key properties of 2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide?
2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide has a molecular weight of 227.71 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methyloxolan-3-yl)ethanesulfonamide is sourced from PubChem (CID 107652467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).