4-(thiophen-2-ylmethylideneamino)benzenesulfonamide

C11H10N2O2S2 — CID 710286

IUPAC4-(thiophen-2-ylmethylideneamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2cccs2)cc1
InChIInChI=1S/C11H10N2O2S2/c12-17(14,15)11-5-3-9(4-6-11)13-8-10-2-1-7-16-10/h1-8H,(H2,12,14,15)/b13-8+
InChIKeyGEMQRGKDDYYXOV-MDWZMJQESA-N
MW266.35 g/mol
LogP2.15
Rot. Bonds3

About 4-(thiophen-2-ylmethylideneamino)benzenesulfonamide

4-(thiophen-2-ylmethylideneamino)benzenesulfonamide (PubChem CID 710286) has the molecular formula C11H10N2O2S2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(thiophen-2-ylmethylideneamino)benzenesulfonamide
PubChem CID710286
Molecular FormulaC11H10N2O2S2
Molecular Weight266.35 g/mol
Exact Mass266.02
IUPAC Name4-(thiophen-2-ylmethylideneamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2cccs2)cc1
InChIInChI=1S/C11H10N2O2S2/c12-17(14,15)11-5-3-9(4-6-11)13-8-10-2-1-7-16-10/h1-8H,(H2,12,14,15)/b13-8+
InChIKeyGEMQRGKDDYYXOV-MDWZMJQESA-N
XLogP2.15
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-(thiophen-2-ylmethylideneamino)benzenesulfonamide?
The IUPAC name of 4-(thiophen-2-ylmethylideneamino)benzenesulfonamide (CID 710286) is 4-(thiophen-2-ylmethylideneamino)benzenesulfonamide.
What is the SMILES notation for 4-(thiophen-2-ylmethylideneamino)benzenesulfonamide?
The canonical SMILES for 4-(thiophen-2-ylmethylideneamino)benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2cccs2)cc1.
What is the InChIKey of 4-(thiophen-2-ylmethylideneamino)benzenesulfonamide?
The InChIKey is GEMQRGKDDYYXOV-MDWZMJQESA-N. The full InChI is InChI=1S/C11H10N2O2S2/c12-17(14,15)11-5-3-9(4-6-11)13-8-10-2-1-7-16-10/h1-8H,(H2,12,14,15)/b13-8+.
What are the key properties of 4-(thiophen-2-ylmethylideneamino)benzenesulfonamide?
4-(thiophen-2-ylmethylideneamino)benzenesulfonamide has a molecular weight of 266.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethylideneamino)benzenesulfonamide is sourced from PubChem (CID 710286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).