N-methoxy-N-phenylprop-2-ene-1-sulfonamide

C10H13NO3S — CID 87802468

IUPACN-methoxy-N-phenylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(OC)c1ccccc1
InChIInChI=1S/C10H13NO3S/c1-3-9-15(12,13)11(14-2)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3
InChIKeySBWXWNYDHBQJLK-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.57
Rot. Bonds5

About N-methoxy-N-phenylprop-2-ene-1-sulfonamide

N-methoxy-N-phenylprop-2-ene-1-sulfonamide (PubChem CID 87802468) has the molecular formula C10H13NO3S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-methoxy-N-phenylprop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-methoxy-N-phenylprop-2-ene-1-sulfonamide
PubChem CID87802468
Molecular FormulaC10H13NO3S
Molecular Weight227.29 g/mol
Exact Mass227.06
IUPAC NameN-methoxy-N-phenylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(OC)c1ccccc1
InChIInChI=1S/C10H13NO3S/c1-3-9-15(12,13)11(14-2)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3
InChIKeySBWXWNYDHBQJLK-UHFFFAOYSA-N
XLogP1.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-phenylprop-2-ene-1-sulfonamide?
The IUPAC name of N-methoxy-N-phenylprop-2-ene-1-sulfonamide (CID 87802468) is N-methoxy-N-phenylprop-2-ene-1-sulfonamide.
What is the SMILES notation for N-methoxy-N-phenylprop-2-ene-1-sulfonamide?
The canonical SMILES for N-methoxy-N-phenylprop-2-ene-1-sulfonamide is C=CCS(=O)(=O)N(OC)c1ccccc1.
What is the InChIKey of N-methoxy-N-phenylprop-2-ene-1-sulfonamide?
The InChIKey is SBWXWNYDHBQJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-3-9-15(12,13)11(14-2)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3.
What are the key properties of N-methoxy-N-phenylprop-2-ene-1-sulfonamide?
N-methoxy-N-phenylprop-2-ene-1-sulfonamide has a molecular weight of 227.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-phenylprop-2-ene-1-sulfonamide is sourced from PubChem (CID 87802468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).