2-chloro-N-hexyl-N-(2-hydroxyethyl)ethanesulfonamide

C10H22ClNO3S — CID 107651164

IUPAC2-chloro-N-hexyl-N-(2-hydroxyethyl)ethanesulfonamide
SMILESCCCCCCN(CCO)S(=O)(=O)CCCl
InChIInChI=1S/C10H22ClNO3S/c1-2-3-4-5-7-12(8-9-13)16(14,15)10-6-11/h13H,2-10H2,1H3
InChIKeyJYDUNZMYPBTNGQ-UHFFFAOYSA-N
MW271.81 g/mol
LogP1.43
Rot. Bonds10

About 2-chloro-N-hexyl-N-(2-hydroxyethyl)ethanesulfonamide

2-chloro-N-hexyl-N-(2-hydroxyethyl)ethanesulfonamide (PubChem CID 107651164) has the molecular formula C10H22ClNO3S and a molecular weight of 271.81 g/mol. Its IUPAC name is 2-chloro-N-hexyl-N-(2-hydroxyethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-hexyl-N-(2-hydroxyethyl)ethanesulfonamide
PubChem CID107651164
Molecular FormulaC10H22ClNO3S
Molecular Weight271.81 g/mol
Exact Mass271.10
IUPAC Name2-chloro-N-hexyl-N-(2-hydroxyethyl)ethanesulfonamide
SMILESCCCCCCN(CCO)S(=O)(=O)CCCl
InChIInChI=1S/C10H22ClNO3S/c1-2-3-4-5-7-12(8-9-13)16(14,15)10-6-11/h13H,2-10H2,1H3
InChIKeyJYDUNZMYPBTNGQ-UHFFFAOYSA-N
XLogP1.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-hexyl-N-(2-hydroxyethyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-hexyl-N-(2-hydroxyethyl)ethanesulfonamide (CID 107651164) is 2-chloro-N-hexyl-N-(2-hydroxyethyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-hexyl-N-(2-hydroxyethyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-hexyl-N-(2-hydroxyethyl)ethanesulfonamide is CCCCCCN(CCO)S(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-hexyl-N-(2-hydroxyethyl)ethanesulfonamide?
The InChIKey is JYDUNZMYPBTNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO3S/c1-2-3-4-5-7-12(8-9-13)16(14,15)10-6-11/h13H,2-10H2,1H3.
What are the key properties of 2-chloro-N-hexyl-N-(2-hydroxyethyl)ethanesulfonamide?
2-chloro-N-hexyl-N-(2-hydroxyethyl)ethanesulfonamide has a molecular weight of 271.81 g/mol, XLogP of 1.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-hexyl-N-(2-hydroxyethyl)ethanesulfonamide is sourced from PubChem (CID 107651164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).