4-[2-(thiophene-2-carbonyl)hydrazinyl]benzenesulfonamide

C11H11N3O3S2 — CID 2811813

IUPAC4-[2-(thiophene-2-carbonyl)hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NNC(=O)c2cccs2)cc1
InChIInChI=1S/C11H11N3O3S2/c12-19(16,17)9-5-3-8(4-6-9)13-14-11(15)10-2-1-7-18-10/h1-7,13H,(H,14,15)(H2,12,16,17)
InChIKeyLGHRLRSRBFTNRZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.15
Rot. Bonds4

About 4-[2-(thiophene-2-carbonyl)hydrazinyl]benzenesulfonamide

4-[2-(thiophene-2-carbonyl)hydrazinyl]benzenesulfonamide (PubChem CID 2811813) has the molecular formula C11H11N3O3S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[2-(thiophene-2-carbonyl)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(thiophene-2-carbonyl)hydrazinyl]benzenesulfonamide
PubChem CID2811813
Molecular FormulaC11H11N3O3S2
Molecular Weight297.36 g/mol
Exact Mass297.02
IUPAC Name4-[2-(thiophene-2-carbonyl)hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NNC(=O)c2cccs2)cc1
InChIInChI=1S/C11H11N3O3S2/c12-19(16,17)9-5-3-8(4-6-9)13-14-11(15)10-2-1-7-18-10/h1-7,13H,(H,14,15)(H2,12,16,17)
InChIKeyLGHRLRSRBFTNRZ-UHFFFAOYSA-N
XLogP1.15
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(thiophene-2-carbonyl)hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[2-(thiophene-2-carbonyl)hydrazinyl]benzenesulfonamide (CID 2811813) is 4-[2-(thiophene-2-carbonyl)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(thiophene-2-carbonyl)hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(thiophene-2-carbonyl)hydrazinyl]benzenesulfonamide is NS(=O)(=O)c1ccc(NNC(=O)c2cccs2)cc1.
What is the InChIKey of 4-[2-(thiophene-2-carbonyl)hydrazinyl]benzenesulfonamide?
The InChIKey is LGHRLRSRBFTNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S2/c12-19(16,17)9-5-3-8(4-6-9)13-14-11(15)10-2-1-7-18-10/h1-7,13H,(H,14,15)(H2,12,16,17).
What are the key properties of 4-[2-(thiophene-2-carbonyl)hydrazinyl]benzenesulfonamide?
4-[2-(thiophene-2-carbonyl)hydrazinyl]benzenesulfonamide has a molecular weight of 297.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(thiophene-2-carbonyl)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 2811813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).