N-phenylprop-2-ene-1-sulfonamide

C9H11NO2S — CID 778781

IUPACN-phenylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C9H11NO2S/c1-2-8-13(11,12)10-9-6-4-3-5-7-9/h2-7,10H,1,8H2
InChIKeyPHSJCEUNKFZBDY-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.61
Rot. Bonds4

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

N-phenylprop-2-ene-1-sulfonamide (PubChem CID 778781) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is N-phenylprop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-phenylprop-2-ene-1-sulfonamide
PubChem CID778781
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC NameN-phenylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C9H11NO2S/c1-2-8-13(11,12)10-9-6-4-3-5-7-9/h2-7,10H,1,8H2
InChIKeyPHSJCEUNKFZBDY-UHFFFAOYSA-N
XLogP1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.61
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-phenylprop-2-ene-1-sulfonamide?
The IUPAC name of N-phenylprop-2-ene-1-sulfonamide (CID 778781) is N-phenylprop-2-ene-1-sulfonamide.
What is the SMILES notation for N-phenylprop-2-ene-1-sulfonamide?
The canonical SMILES for N-phenylprop-2-ene-1-sulfonamide is C=CCS(=O)(=O)Nc1ccccc1.
What is the InChIKey of N-phenylprop-2-ene-1-sulfonamide?
The InChIKey is PHSJCEUNKFZBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-2-8-13(11,12)10-9-6-4-3-5-7-9/h2-7,10H,1,8H2.
What are the key properties of N-phenylprop-2-ene-1-sulfonamide?
N-phenylprop-2-ene-1-sulfonamide has a molecular weight of 197.26 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylprop-2-ene-1-sulfonamide is sourced from PubChem (CID 778781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).