3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)propane-1-sulfonamide

C10H22ClNO4S — CID 54880203

IUPAC3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)propane-1-sulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)CCCCl
InChIInChI=1S/C10H22ClNO4S/c1-15-8-4-6-12(7-9-16-2)17(13,14)10-3-5-11/h3-10H2,1-2H3
InChIKeyWVJFYKLLLJMNON-UHFFFAOYSA-N
MW287.81 g/mol
LogP0.93
Rot. Bonds11

About 3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)propane-1-sulfonamide

3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)propane-1-sulfonamide (PubChem CID 54880203) has the molecular formula C10H22ClNO4S and a molecular weight of 287.81 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)propane-1-sulfonamide
PubChem CID54880203
Molecular FormulaC10H22ClNO4S
Molecular Weight287.81 g/mol
Exact Mass287.10
IUPAC Name3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)propane-1-sulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)CCCCl
InChIInChI=1S/C10H22ClNO4S/c1-15-8-4-6-12(7-9-16-2)17(13,14)10-3-5-11/h3-10H2,1-2H3
InChIKeyWVJFYKLLLJMNON-UHFFFAOYSA-N
XLogP0.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-methoxyethyl)-N-(3-methoxypropyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)propane-1-sulfonamide (CID 54880203) is 3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)propane-1-sulfonamide is COCCCN(CCOC)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)propane-1-sulfonamide?
The InChIKey is WVJFYKLLLJMNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO4S/c1-15-8-4-6-12(7-9-16-2)17(13,14)10-3-5-11/h3-10H2,1-2H3.
What are the key properties of 3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)propane-1-sulfonamide?
3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)propane-1-sulfonamide has a molecular weight of 287.81 g/mol, XLogP of 0.93, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)propane-1-sulfonamide is sourced from PubChem (CID 54880203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).