(NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide

C14H12N2O2S — CID 134997047

IUPAC(NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide
SMILESO=S(=O)(/N=C/C=C/c1ccccc1)c1ccccn1
InChIInChI=1S/C14H12N2O2S/c17-19(18,14-10-4-5-11-15-14)16-12-6-9-13-7-2-1-3-8-13/h1-12H/b9-6+,16-12+
InChIKeyGSMNMFPTXNSSLG-LVEAOLTQSA-N
MW272.33 g/mol
LogP2.55
Rot. Bonds4

About (NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide

(NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide (PubChem CID 134997047) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is (NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide.

Molecular Properties

Compound Name(NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide
PubChem CID134997047
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name(NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide
SMILESO=S(=O)(/N=C/C=C/c1ccccc1)c1ccccn1
InChIInChI=1S/C14H12N2O2S/c17-19(18,14-10-4-5-11-15-14)16-12-6-9-13-7-2-1-3-8-13/h1-12H/b9-6+,16-12+
InChIKeyGSMNMFPTXNSSLG-LVEAOLTQSA-N
XLogP2.55
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide?
The IUPAC name of (NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide (CID 134997047) is (NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide.
What is the SMILES notation for (NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide?
The canonical SMILES for (NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide is O=S(=O)(/N=C/C=C/c1ccccc1)c1ccccn1.
What is the InChIKey of (NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide?
The InChIKey is GSMNMFPTXNSSLG-LVEAOLTQSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-19(18,14-10-4-5-11-15-14)16-12-6-9-13-7-2-1-3-8-13/h1-12H/b9-6+,16-12+.
What are the key properties of (NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide?
(NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide has a molecular weight of 272.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-3-phenylprop-2-enylidene]pyridine-2-sulfonamide is sourced from PubChem (CID 134997047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).