N-chloro-N-ethylmethanesulfonamide

C3H8ClNO2S — CID 118574603

IUPACN-chloro-N-ethylmethanesulfonamide
SMILESCCN(Cl)S(C)(=O)=O
InChIInChI=1S/C3H8ClNO2S/c1-3-5(4)8(2,6)7/h3H2,1-2H3
InChIKeyJJVLZOWFOXOLMY-UHFFFAOYSA-N
MW157.62 g/mol
LogP0.42
Rot. Bonds2

About N-chloro-N-ethylmethanesulfonamide

N-chloro-N-ethylmethanesulfonamide (PubChem CID 118574603) has the molecular formula C3H8ClNO2S and a molecular weight of 157.62 g/mol. Its IUPAC name is N-chloro-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-chloro-N-ethylmethanesulfonamide
PubChem CID118574603
Molecular FormulaC3H8ClNO2S
Molecular Weight157.62 g/mol
Exact Mass157.00
IUPAC NameN-chloro-N-ethylmethanesulfonamide
SMILESCCN(Cl)S(C)(=O)=O
InChIInChI=1S/C3H8ClNO2S/c1-3-5(4)8(2,6)7/h3H2,1-2H3
InChIKeyJJVLZOWFOXOLMY-UHFFFAOYSA-N
XLogP0.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.62
LogP ≤ 50.42
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-ethylmethanesulfonamide?
The IUPAC name of N-chloro-N-ethylmethanesulfonamide (CID 118574603) is N-chloro-N-ethylmethanesulfonamide.
What is the SMILES notation for N-chloro-N-ethylmethanesulfonamide?
The canonical SMILES for N-chloro-N-ethylmethanesulfonamide is CCN(Cl)S(C)(=O)=O.
What is the InChIKey of N-chloro-N-ethylmethanesulfonamide?
The InChIKey is JJVLZOWFOXOLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClNO2S/c1-3-5(4)8(2,6)7/h3H2,1-2H3.
What are the key properties of N-chloro-N-ethylmethanesulfonamide?
N-chloro-N-ethylmethanesulfonamide has a molecular weight of 157.62 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-ethylmethanesulfonamide is sourced from PubChem (CID 118574603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).