N-(furan-2-ylmethylideneamino)benzenesulfonamide

C11H10N2O3S — CID 5098031

IUPACN-(furan-2-ylmethylideneamino)benzenesulfonamide
SMILESO=S(=O)(NN=Cc1ccco1)c1ccccc1
InChIInChI=1S/C11H10N2O3S/c14-17(15,11-6-2-1-3-7-11)13-12-9-10-5-4-8-16-10/h1-9,13H
InChIKeyMJQQBZCBBYFJSK-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.59
Rot. Bonds4

About N-(furan-2-ylmethylideneamino)benzenesulfonamide

N-(furan-2-ylmethylideneamino)benzenesulfonamide (PubChem CID 5098031) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)benzenesulfonamide
PubChem CID5098031
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC NameN-(furan-2-ylmethylideneamino)benzenesulfonamide
SMILESO=S(=O)(NN=Cc1ccco1)c1ccccc1
InChIInChI=1S/C11H10N2O3S/c14-17(15,11-6-2-1-3-7-11)13-12-9-10-5-4-8-16-10/h1-9,13H
InChIKeyMJQQBZCBBYFJSK-UHFFFAOYSA-N
XLogP1.59
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 N-(furan-2-ylmethylideneamino)benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)benzenesulfonamide (CID 5098031) is N-(furan-2-ylmethylideneamino)benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)benzenesulfonamide is O=S(=O)(NN=Cc1ccco1)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)benzenesulfonamide?
The InChIKey is MJQQBZCBBYFJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c14-17(15,11-6-2-1-3-7-11)13-12-9-10-5-4-8-16-10/h1-9,13H.
What are the key properties of N-(furan-2-ylmethylideneamino)benzenesulfonamide?
N-(furan-2-ylmethylideneamino)benzenesulfonamide has a molecular weight of 250.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)benzenesulfonamide is sourced from PubChem (CID 5098031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).