3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide

C11H24ClNO3S — CID 54877271

IUPAC3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide
SMILESCCCCCCN(CCO)S(=O)(=O)CCCCl
InChIInChI=1S/C11H24ClNO3S/c1-2-3-4-5-8-13(9-10-14)17(15,16)11-6-7-12/h14H,2-11H2,1H3
InChIKeyPRMSQQMXFCODDC-UHFFFAOYSA-N
MW285.84 g/mol
LogP1.82
Rot. Bonds11

About 3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide

3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide (PubChem CID 54877271) has the molecular formula C11H24ClNO3S and a molecular weight of 285.84 g/mol. Its IUPAC name is 3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide
PubChem CID54877271
Molecular FormulaC11H24ClNO3S
Molecular Weight285.84 g/mol
Exact Mass285.12
IUPAC Name3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide
SMILESCCCCCCN(CCO)S(=O)(=O)CCCCl
InChIInChI=1S/C11H24ClNO3S/c1-2-3-4-5-8-13(9-10-14)17(15,16)11-6-7-12/h14H,2-11H2,1H3
InChIKeyPRMSQQMXFCODDC-UHFFFAOYSA-N
XLogP1.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 51.82
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 3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide (CID 54877271) is 3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide is CCCCCCN(CCO)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide?
The InChIKey is PRMSQQMXFCODDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO3S/c1-2-3-4-5-8-13(9-10-14)17(15,16)11-6-7-12/h14H,2-11H2,1H3.
What are the key properties of 3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide?
3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide has a molecular weight of 285.84 g/mol, XLogP of 1.82, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-hexyl-N-(2-hydroxyethyl)propane-1-sulfonamide is sourced from PubChem (CID 54877271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).