2-(3-chloropropylsulfonylamino)-N-propylacetamide

C8H17ClN2O3S — CID 43653880

IUPAC2-(3-chloropropylsulfonylamino)-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)CCCCl
InChIInChI=1S/C8H17ClN2O3S/c1-2-5-10-8(12)7-11-15(13,14)6-3-4-9/h11H,2-7H2,1H3,(H,10,12)
InChIKeyBHIQPEFUMYWKAH-UHFFFAOYSA-N
MW256.75 g/mol
LogP0.06
Rot. Bonds8

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

2-(3-chloropropylsulfonylamino)-N-propylacetamide (PubChem CID 43653880) has the molecular formula C8H17ClN2O3S and a molecular weight of 256.75 g/mol. Its IUPAC name is 2-(3-chloropropylsulfonylamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-chloropropylsulfonylamino)-N-propylacetamide
PubChem CID43653880
Molecular FormulaC8H17ClN2O3S
Molecular Weight256.75 g/mol
Exact Mass256.06
IUPAC Name2-(3-chloropropylsulfonylamino)-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)CCCCl
InChIInChI=1S/C8H17ClN2O3S/c1-2-5-10-8(12)7-11-15(13,14)6-3-4-9/h11H,2-7H2,1H3,(H,10,12)
InChIKeyBHIQPEFUMYWKAH-UHFFFAOYSA-N
XLogP0.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 50.06
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-propylacetamide?
The IUPAC name of 2-(3-chloropropylsulfonylamino)-N-propylacetamide (CID 43653880) is 2-(3-chloropropylsulfonylamino)-N-propylacetamide.
What is the SMILES notation for 2-(3-chloropropylsulfonylamino)-N-propylacetamide?
The canonical SMILES for 2-(3-chloropropylsulfonylamino)-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)CCCCl.
What is the InChIKey of 2-(3-chloropropylsulfonylamino)-N-propylacetamide?
The InChIKey is BHIQPEFUMYWKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O3S/c1-2-5-10-8(12)7-11-15(13,14)6-3-4-9/h11H,2-7H2,1H3,(H,10,12).
What are the key properties of 2-(3-chloropropylsulfonylamino)-N-propylacetamide?
2-(3-chloropropylsulfonylamino)-N-propylacetamide has a molecular weight of 256.75 g/mol, XLogP of 0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropylsulfonylamino)-N-propylacetamide is sourced from PubChem (CID 43653880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).