4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide

C13H13N3O3S2 — CID 2465706

IUPAC4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NNC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C13H13N3O3S2/c14-21(18,19)12-6-3-10(4-7-12)15-16-13(17)8-5-11-2-1-9-20-11/h1-9,15H,(H,16,17)(H2,14,18,19)/b8-5+
InChIKeyXEIYCVYTYQFCAT-VMPITWQZSA-N
MW323.40 g/mol
LogP1.55
Rot. Bonds5

About 4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide

4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide (PubChem CID 2465706) has the molecular formula C13H13N3O3S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide
PubChem CID2465706
Molecular FormulaC13H13N3O3S2
Molecular Weight323.40 g/mol
Exact Mass323.04
IUPAC Name4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NNC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C13H13N3O3S2/c14-21(18,19)12-6-3-10(4-7-12)15-16-13(17)8-5-11-2-1-9-20-11/h1-9,15H,(H,16,17)(H2,14,18,19)/b8-5+
InChIKeyXEIYCVYTYQFCAT-VMPITWQZSA-N
XLogP1.55
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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 4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide (CID 2465706) is 4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide is NS(=O)(=O)c1ccc(NNC(=O)/C=C/c2cccs2)cc1.
What is the InChIKey of 4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide?
The InChIKey is XEIYCVYTYQFCAT-VMPITWQZSA-N. The full InChI is InChI=1S/C13H13N3O3S2/c14-21(18,19)12-6-3-10(4-7-12)15-16-13(17)8-5-11-2-1-9-20-11/h1-9,15H,(H,16,17)(H2,14,18,19)/b8-5+.
What are the key properties of 4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide?
4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide has a molecular weight of 323.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 2465706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).