1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide

C9H20ClNO3S — CID 63664721

IUPAC1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCCCCCN(CCO)S(=O)(=O)CCl
InChIInChI=1S/C9H20ClNO3S/c1-2-3-4-5-6-11(7-8-12)15(13,14)9-10/h12H,2-9H2,1H3
InChIKeyPNZWGSCFEQEHBV-UHFFFAOYSA-N
MW257.78 g/mol
LogP1.39
Rot. Bonds9

About 1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide

1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 63664721) has the molecular formula C9H20ClNO3S and a molecular weight of 257.78 g/mol. Its IUPAC name is 1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID63664721
Molecular FormulaC9H20ClNO3S
Molecular Weight257.78 g/mol
Exact Mass257.09
IUPAC Name1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCCCCCN(CCO)S(=O)(=O)CCl
InChIInChI=1S/C9H20ClNO3S/c1-2-3-4-5-6-11(7-8-12)15(13,14)9-10/h12H,2-9H2,1H3
InChIKeyPNZWGSCFEQEHBV-UHFFFAOYSA-N
XLogP1.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 51.39
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 1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide (CID 63664721) is 1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide is CCCCCCN(CCO)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is PNZWGSCFEQEHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO3S/c1-2-3-4-5-6-11(7-8-12)15(13,14)9-10/h12H,2-9H2,1H3.
What are the key properties of 1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide?
1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 257.78 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-hexyl-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 63664721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).