chloromethane;prop-2-ene-1-sulfonamide

C4H10ClNO2S — CID 174937700

IUPACchloromethane;prop-2-ene-1-sulfonamide
SMILESC=CCS(N)(=O)=O.CCl
InChIInChI=1S/C3H7NO2S.CH3Cl/c1-2-3-7(4,5)6;1-2/h2H,1,3H2,(H2,4,5,6);1H3
InChIKeyQSIJGDSATWRUGF-UHFFFAOYSA-N
MW171.65 g/mol
LogP0.32
Rot. Bonds2

About chloromethane;prop-2-ene-1-sulfonamide

chloromethane;prop-2-ene-1-sulfonamide (PubChem CID 174937700) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is chloromethane;prop-2-ene-1-sulfonamide.

Molecular Properties

Compound Namechloromethane;prop-2-ene-1-sulfonamide
PubChem CID174937700
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC Namechloromethane;prop-2-ene-1-sulfonamide
SMILESC=CCS(N)(=O)=O.CCl
InChIInChI=1S/C3H7NO2S.CH3Cl/c1-2-3-7(4,5)6;1-2/h2H,1,3H2,(H2,4,5,6);1H3
InChIKeyQSIJGDSATWRUGF-UHFFFAOYSA-N
XLogP0.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethane;prop-2-ene-1-sulfonamide?
The IUPAC name of chloromethane;prop-2-ene-1-sulfonamide (CID 174937700) is chloromethane;prop-2-ene-1-sulfonamide.
What is the SMILES notation for chloromethane;prop-2-ene-1-sulfonamide?
The canonical SMILES for chloromethane;prop-2-ene-1-sulfonamide is C=CCS(N)(=O)=O.CCl.
What is the InChIKey of chloromethane;prop-2-ene-1-sulfonamide?
The InChIKey is QSIJGDSATWRUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S.CH3Cl/c1-2-3-7(4,5)6;1-2/h2H,1,3H2,(H2,4,5,6);1H3.
What are the key properties of chloromethane;prop-2-ene-1-sulfonamide?
chloromethane;prop-2-ene-1-sulfonamide has a molecular weight of 171.65 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;prop-2-ene-1-sulfonamide is sourced from PubChem (CID 174937700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).