N-[4-(1-hydroxyprop-2-enyl)phenyl]methanesulfonamide

C10H13NO3S — CID 45357694

IUPACN-[4-(1-hydroxyprop-2-enyl)phenyl]methanesulfonamide
SMILESC=CC(O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C10H13NO3S/c1-3-10(12)8-4-6-9(7-5-8)11-15(2,13)14/h3-7,10-12H,1H2,2H3
InChIKeyZIVIIACMCYQFGA-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.28
Rot. Bonds4

About N-[4-(1-hydroxyprop-2-enyl)phenyl]methanesulfonamide

N-[4-(1-hydroxyprop-2-enyl)phenyl]methanesulfonamide (PubChem CID 45357694) has the molecular formula C10H13NO3S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-[4-(1-hydroxyprop-2-enyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyprop-2-enyl)phenyl]methanesulfonamide
PubChem CID45357694
Molecular FormulaC10H13NO3S
Molecular Weight227.29 g/mol
Exact Mass227.06
IUPAC NameN-[4-(1-hydroxyprop-2-enyl)phenyl]methanesulfonamide
SMILESC=CC(O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C10H13NO3S/c1-3-10(12)8-4-6-9(7-5-8)11-15(2,13)14/h3-7,10-12H,1H2,2H3
InChIKeyZIVIIACMCYQFGA-UHFFFAOYSA-N
XLogP1.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-(1-hydroxyprop-2-enyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(1-hydroxyprop-2-enyl)phenyl]methanesulfonamide (CID 45357694) is N-[4-(1-hydroxyprop-2-enyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(1-hydroxyprop-2-enyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(1-hydroxyprop-2-enyl)phenyl]methanesulfonamide is C=CC(O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(1-hydroxyprop-2-enyl)phenyl]methanesulfonamide?
The InChIKey is ZIVIIACMCYQFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-3-10(12)8-4-6-9(7-5-8)11-15(2,13)14/h3-7,10-12H,1H2,2H3.
What are the key properties of N-[4-(1-hydroxyprop-2-enyl)phenyl]methanesulfonamide?
N-[4-(1-hydroxyprop-2-enyl)phenyl]methanesulfonamide has a molecular weight of 227.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyprop-2-enyl)phenyl]methanesulfonamide is sourced from PubChem (CID 45357694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).