N-prop-2-enylethenesulfonamide;hydrochloride

C5H10ClNO2S — CID 122513524

IUPACN-prop-2-enylethenesulfonamide;hydrochloride
SMILESC=CCNS(=O)(=O)C=C.Cl
InChIInChI=1S/C5H9NO2S.ClH/c1-3-5-6-9(7,8)4-2;/h3-4,6H,1-2,5H2;1H
InChIKeyQWCARSPJKBCKNH-UHFFFAOYSA-N
MW183.66 g/mol
LogP0.66
Rot. Bonds4

About N-prop-2-enylethenesulfonamide;hydrochloride

N-prop-2-enylethenesulfonamide;hydrochloride (PubChem CID 122513524) has the molecular formula C5H10ClNO2S and a molecular weight of 183.66 g/mol. Its IUPAC name is N-prop-2-enylethenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-prop-2-enylethenesulfonamide;hydrochloride
PubChem CID122513524
Molecular FormulaC5H10ClNO2S
Molecular Weight183.66 g/mol
Exact Mass183.01
IUPAC NameN-prop-2-enylethenesulfonamide;hydrochloride
SMILESC=CCNS(=O)(=O)C=C.Cl
InChIInChI=1S/C5H9NO2S.ClH/c1-3-5-6-9(7,8)4-2;/h3-4,6H,1-2,5H2;1H
InChIKeyQWCARSPJKBCKNH-UHFFFAOYSA-N
XLogP0.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylethenesulfonamide;hydrochloride?
The IUPAC name of N-prop-2-enylethenesulfonamide;hydrochloride (CID 122513524) is N-prop-2-enylethenesulfonamide;hydrochloride.
What is the SMILES notation for N-prop-2-enylethenesulfonamide;hydrochloride?
The canonical SMILES for N-prop-2-enylethenesulfonamide;hydrochloride is C=CCNS(=O)(=O)C=C.Cl.
What is the InChIKey of N-prop-2-enylethenesulfonamide;hydrochloride?
The InChIKey is QWCARSPJKBCKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S.ClH/c1-3-5-6-9(7,8)4-2;/h3-4,6H,1-2,5H2;1H.
What are the key properties of N-prop-2-enylethenesulfonamide;hydrochloride?
N-prop-2-enylethenesulfonamide;hydrochloride has a molecular weight of 183.66 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylethenesulfonamide;hydrochloride is sourced from PubChem (CID 122513524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).