N,2-dichloro-N-propylethanesulfonamide

C5H11Cl2NO2S — CID 57142400

IUPACN,2-dichloro-N-propylethanesulfonamide
SMILESCCCN(Cl)S(=O)(=O)CCCl
InChIInChI=1S/C5H11Cl2NO2S/c1-2-4-8(7)11(9,10)5-3-6/h2-5H2,1H3
InChIKeyPHRJCCBCBNHZTF-UHFFFAOYSA-N
MW220.12 g/mol
LogP1.42
Rot. Bonds5

About N,2-dichloro-N-propylethanesulfonamide

N,2-dichloro-N-propylethanesulfonamide (PubChem CID 57142400) has the molecular formula C5H11Cl2NO2S and a molecular weight of 220.12 g/mol. Its IUPAC name is N,2-dichloro-N-propylethanesulfonamide.

Molecular Properties

Compound NameN,2-dichloro-N-propylethanesulfonamide
PubChem CID57142400
Molecular FormulaC5H11Cl2NO2S
Molecular Weight220.12 g/mol
Exact Mass218.99
IUPAC NameN,2-dichloro-N-propylethanesulfonamide
SMILESCCCN(Cl)S(=O)(=O)CCCl
InChIInChI=1S/C5H11Cl2NO2S/c1-2-4-8(7)11(9,10)5-3-6/h2-5H2,1H3
InChIKeyPHRJCCBCBNHZTF-UHFFFAOYSA-N
XLogP1.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.12
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dichloro-N-propylethanesulfonamide?
The IUPAC name of N,2-dichloro-N-propylethanesulfonamide (CID 57142400) is N,2-dichloro-N-propylethanesulfonamide.
What is the SMILES notation for N,2-dichloro-N-propylethanesulfonamide?
The canonical SMILES for N,2-dichloro-N-propylethanesulfonamide is CCCN(Cl)S(=O)(=O)CCCl.
What is the InChIKey of N,2-dichloro-N-propylethanesulfonamide?
The InChIKey is PHRJCCBCBNHZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2NO2S/c1-2-4-8(7)11(9,10)5-3-6/h2-5H2,1H3.
What are the key properties of N,2-dichloro-N-propylethanesulfonamide?
N,2-dichloro-N-propylethanesulfonamide has a molecular weight of 220.12 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dichloro-N-propylethanesulfonamide is sourced from PubChem (CID 57142400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).