2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide

C8H16ClNO3S — CID 107652566

IUPAC2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)CCCl
InChIInChI=1S/C8H16ClNO3S/c1-8(2)6(5-7(8)11)10-14(12,13)4-3-9/h6-7,10-11H,3-5H2,1-2H3
InChIKeyFNPPUFBGDXGOPM-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.30
Rot. Bonds4

About 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide

2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide (PubChem CID 107652566) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide
PubChem CID107652566
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)CCCl
InChIInChI=1S/C8H16ClNO3S/c1-8(2)6(5-7(8)11)10-14(12,13)4-3-9/h6-7,10-11H,3-5H2,1-2H3
InChIKeyFNPPUFBGDXGOPM-UHFFFAOYSA-N
XLogP0.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 50.30
H-Bond Donors ≤ 52
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-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide (CID 107652566) is 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide is CC1(C)C(O)CC1NS(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide?
The InChIKey is FNPPUFBGDXGOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-8(2)6(5-7(8)11)10-14(12,13)4-3-9/h6-7,10-11H,3-5H2,1-2H3.
What are the key properties of 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide?
2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide has a molecular weight of 241.74 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)ethanesulfonamide is sourced from PubChem (CID 107652566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).