3-chloro-N,N-bis(2-methoxyethyl)propane-1-sulfonamide

C9H20ClNO4S — CID 43654281

IUPAC3-chloro-N,N-bis(2-methoxyethyl)propane-1-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)CCCCl
InChIInChI=1S/C9H20ClNO4S/c1-14-7-5-11(6-8-15-2)16(12,13)9-3-4-10/h3-9H2,1-2H3
InChIKeyFBCDJYUCNWAWLC-UHFFFAOYSA-N
MW273.78 g/mol
LogP0.54
Rot. Bonds10

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

3-chloro-N,N-bis(2-methoxyethyl)propane-1-sulfonamide (PubChem CID 43654281) has the molecular formula C9H20ClNO4S and a molecular weight of 273.78 g/mol. Its IUPAC name is 3-chloro-N,N-bis(2-methoxyethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N,N-bis(2-methoxyethyl)propane-1-sulfonamide
PubChem CID43654281
Molecular FormulaC9H20ClNO4S
Molecular Weight273.78 g/mol
Exact Mass273.08
IUPAC Name3-chloro-N,N-bis(2-methoxyethyl)propane-1-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)CCCCl
InChIInChI=1S/C9H20ClNO4S/c1-14-7-5-11(6-8-15-2)16(12,13)9-3-4-10/h3-9H2,1-2H3
InChIKeyFBCDJYUCNWAWLC-UHFFFAOYSA-N
XLogP0.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-chloro-N,N-bis(2-methoxyethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N,N-bis(2-methoxyethyl)propane-1-sulfonamide (CID 43654281) is 3-chloro-N,N-bis(2-methoxyethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N,N-bis(2-methoxyethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N,N-bis(2-methoxyethyl)propane-1-sulfonamide is COCCN(CCOC)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N,N-bis(2-methoxyethyl)propane-1-sulfonamide?
The InChIKey is FBCDJYUCNWAWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO4S/c1-14-7-5-11(6-8-15-2)16(12,13)9-3-4-10/h3-9H2,1-2H3.
What are the key properties of 3-chloro-N,N-bis(2-methoxyethyl)propane-1-sulfonamide?
3-chloro-N,N-bis(2-methoxyethyl)propane-1-sulfonamide has a molecular weight of 273.78 g/mol, XLogP of 0.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-bis(2-methoxyethyl)propane-1-sulfonamide is sourced from PubChem (CID 43654281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).