SZWNSGUZUXWIOT-MDWZMJQESA-N

C11H10N2O3S — CID 619508

IUPAC4-(furan-2-ylmethylideneamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccco2)cc1
InChIInChI=1S/C11H10N2O3S/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+
InChIKeySZWNSGUZUXWIOT-MDWZMJQESA-N
MW250.28 g/mol
LogP1.68
Rot. Bonds3

About SZWNSGUZUXWIOT-MDWZMJQESA-N

SZWNSGUZUXWIOT-MDWZMJQESA-N (PubChem CID 619508) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-(furan-2-ylmethylideneamino)benzenesulfonamide.

Molecular Properties

Compound NameSZWNSGUZUXWIOT-MDWZMJQESA-N
PubChem CID619508
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name4-(furan-2-ylmethylideneamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccco2)cc1
InChIInChI=1S/C11H10N2O3S/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+
InChIKeySZWNSGUZUXWIOT-MDWZMJQESA-N
XLogP1.68
TPSA85.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.68
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 SZWNSGUZUXWIOT-MDWZMJQESA-N?
The IUPAC name of SZWNSGUZUXWIOT-MDWZMJQESA-N (CID 619508) is 4-(furan-2-ylmethylideneamino)benzenesulfonamide.
What is the SMILES notation for SZWNSGUZUXWIOT-MDWZMJQESA-N?
The canonical SMILES for SZWNSGUZUXWIOT-MDWZMJQESA-N is NS(=O)(=O)c1ccc(/N=C/c2ccco2)cc1.
What is the InChIKey of SZWNSGUZUXWIOT-MDWZMJQESA-N?
The InChIKey is SZWNSGUZUXWIOT-MDWZMJQESA-N. The full InChI is InChI=1S/C11H10N2O3S/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 SZWNSGUZUXWIOT-MDWZMJQESA-N?
SZWNSGUZUXWIOT-MDWZMJQESA-N has a molecular weight of 250.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for SZWNSGUZUXWIOT-MDWZMJQESA-N is sourced from PubChem (CID 619508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).