N-chloro-N-ethylpropane-1-sulfonamide

C5H12ClNO2S — CID 118574428

IUPACN-chloro-N-ethylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(Cl)CC
InChIInChI=1S/C5H12ClNO2S/c1-3-5-10(8,9)7(6)4-2/h3-5H2,1-2H3
InChIKeyOXJBUAJVRFLHDL-UHFFFAOYSA-N
MW185.68 g/mol
LogP1.20
Rot. Bonds4

About N-chloro-N-ethylpropane-1-sulfonamide

N-chloro-N-ethylpropane-1-sulfonamide (PubChem CID 118574428) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is N-chloro-N-ethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-chloro-N-ethylpropane-1-sulfonamide
PubChem CID118574428
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC NameN-chloro-N-ethylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(Cl)CC
InChIInChI=1S/C5H12ClNO2S/c1-3-5-10(8,9)7(6)4-2/h3-5H2,1-2H3
InChIKeyOXJBUAJVRFLHDL-UHFFFAOYSA-N
XLogP1.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-N-ethylpropane-1-sulfonamide?
The IUPAC name of N-chloro-N-ethylpropane-1-sulfonamide (CID 118574428) is N-chloro-N-ethylpropane-1-sulfonamide.
What is the SMILES notation for N-chloro-N-ethylpropane-1-sulfonamide?
The canonical SMILES for N-chloro-N-ethylpropane-1-sulfonamide is CCCS(=O)(=O)N(Cl)CC.
What is the InChIKey of N-chloro-N-ethylpropane-1-sulfonamide?
The InChIKey is OXJBUAJVRFLHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO2S/c1-3-5-10(8,9)7(6)4-2/h3-5H2,1-2H3.
What are the key properties of N-chloro-N-ethylpropane-1-sulfonamide?
N-chloro-N-ethylpropane-1-sulfonamide has a molecular weight of 185.68 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-ethylpropane-1-sulfonamide is sourced from PubChem (CID 118574428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).