2-(3-chloropropylsulfonylamino)-N-ethylacetamide

C7H15ClN2O3S — CID 43653821

IUPAC2-(3-chloropropylsulfonylamino)-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)CCCCl
InChIInChI=1S/C7H15ClN2O3S/c1-2-9-7(11)6-10-14(12,13)5-3-4-8/h10H,2-6H2,1H3,(H,9,11)
InChIKeyRYUAIEBKYQNXAF-UHFFFAOYSA-N
MW242.73 g/mol
LogP-0.33
Rot. Bonds7

About 2-(3-chloropropylsulfonylamino)-N-ethylacetamide

2-(3-chloropropylsulfonylamino)-N-ethylacetamide (PubChem CID 43653821) has the molecular formula C7H15ClN2O3S and a molecular weight of 242.73 g/mol. Its IUPAC name is 2-(3-chloropropylsulfonylamino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-chloropropylsulfonylamino)-N-ethylacetamide
PubChem CID43653821
Molecular FormulaC7H15ClN2O3S
Molecular Weight242.73 g/mol
Exact Mass242.05
IUPAC Name2-(3-chloropropylsulfonylamino)-N-ethylacetamide
SMILESCCNC(=O)CNS(=O)(=O)CCCCl
InChIInChI=1S/C7H15ClN2O3S/c1-2-9-7(11)6-10-14(12,13)5-3-4-8/h10H,2-6H2,1H3,(H,9,11)
InChIKeyRYUAIEBKYQNXAF-UHFFFAOYSA-N
XLogP-0.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(3-chloropropylsulfonylamino)-N-ethylacetamide?
The IUPAC name of 2-(3-chloropropylsulfonylamino)-N-ethylacetamide (CID 43653821) is 2-(3-chloropropylsulfonylamino)-N-ethylacetamide.
What is the SMILES notation for 2-(3-chloropropylsulfonylamino)-N-ethylacetamide?
The canonical SMILES for 2-(3-chloropropylsulfonylamino)-N-ethylacetamide is CCNC(=O)CNS(=O)(=O)CCCCl.
What is the InChIKey of 2-(3-chloropropylsulfonylamino)-N-ethylacetamide?
The InChIKey is RYUAIEBKYQNXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2O3S/c1-2-9-7(11)6-10-14(12,13)5-3-4-8/h10H,2-6H2,1H3,(H,9,11).
What are the key properties of 2-(3-chloropropylsulfonylamino)-N-ethylacetamide?
2-(3-chloropropylsulfonylamino)-N-ethylacetamide has a molecular weight of 242.73 g/mol, XLogP of -0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropylsulfonylamino)-N-ethylacetamide is sourced from PubChem (CID 43653821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).