2-chloro-N-methylethanesulfonamide

C3H8ClNO2S — CID 19857448

IUPAC2-chloro-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCCl
InChIInChI=1S/C3H8ClNO2S/c1-5-8(6,7)3-2-4/h5H,2-3H2,1H3
InChIKeyRSIQPEPRYHEKPP-UHFFFAOYSA-N
MW157.62 g/mol
LogP-0.23
Rot. Bonds3

About 2-chloro-N-methylethanesulfonamide

2-chloro-N-methylethanesulfonamide (PubChem CID 19857448) has the molecular formula C3H8ClNO2S and a molecular weight of 157.62 g/mol. Its IUPAC name is 2-chloro-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-methylethanesulfonamide
PubChem CID19857448
Molecular FormulaC3H8ClNO2S
Molecular Weight157.62 g/mol
Exact Mass157.00
IUPAC Name2-chloro-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCCl
InChIInChI=1S/C3H8ClNO2S/c1-5-8(6,7)3-2-4/h5H,2-3H2,1H3
InChIKeyRSIQPEPRYHEKPP-UHFFFAOYSA-N
XLogP-0.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.62
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-N-methylethanesulfonamide?
The IUPAC name of 2-chloro-N-methylethanesulfonamide (CID 19857448) is 2-chloro-N-methylethanesulfonamide.
What is the SMILES notation for 2-chloro-N-methylethanesulfonamide?
The canonical SMILES for 2-chloro-N-methylethanesulfonamide is CNS(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-methylethanesulfonamide?
The InChIKey is RSIQPEPRYHEKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClNO2S/c1-5-8(6,7)3-2-4/h5H,2-3H2,1H3.
What are the key properties of 2-chloro-N-methylethanesulfonamide?
2-chloro-N-methylethanesulfonamide has a molecular weight of 157.62 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methylethanesulfonamide is sourced from PubChem (CID 19857448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).