2-chloro-N-(furan-3-ylmethyl)ethanesulfonamide

C7H10ClNO3S — CID 107652513

IUPAC2-chloro-N-(furan-3-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCc1ccoc1
InChIInChI=1S/C7H10ClNO3S/c8-2-4-13(10,11)9-5-7-1-3-12-6-7/h1,3,6,9H,2,4-5H2
InChIKeyRIIJKLWIKPMTAY-UHFFFAOYSA-N
MW223.68 g/mol
LogP0.94
Rot. Bonds5

About 2-chloro-N-(furan-3-ylmethyl)ethanesulfonamide

2-chloro-N-(furan-3-ylmethyl)ethanesulfonamide (PubChem CID 107652513) has the molecular formula C7H10ClNO3S and a molecular weight of 223.68 g/mol. Its IUPAC name is 2-chloro-N-(furan-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(furan-3-ylmethyl)ethanesulfonamide
PubChem CID107652513
Molecular FormulaC7H10ClNO3S
Molecular Weight223.68 g/mol
Exact Mass223.01
IUPAC Name2-chloro-N-(furan-3-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCCl)NCc1ccoc1
InChIInChI=1S/C7H10ClNO3S/c8-2-4-13(10,11)9-5-7-1-3-12-6-7/h1,3,6,9H,2,4-5H2
InChIKeyRIIJKLWIKPMTAY-UHFFFAOYSA-N
XLogP0.94
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 50.94
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-(furan-3-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(furan-3-ylmethyl)ethanesulfonamide (CID 107652513) is 2-chloro-N-(furan-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(furan-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(furan-3-ylmethyl)ethanesulfonamide is O=S(=O)(CCCl)NCc1ccoc1.
What is the InChIKey of 2-chloro-N-(furan-3-ylmethyl)ethanesulfonamide?
The InChIKey is RIIJKLWIKPMTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO3S/c8-2-4-13(10,11)9-5-7-1-3-12-6-7/h1,3,6,9H,2,4-5H2.
What are the key properties of 2-chloro-N-(furan-3-ylmethyl)ethanesulfonamide?
2-chloro-N-(furan-3-ylmethyl)ethanesulfonamide has a molecular weight of 223.68 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 107652513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).