N-(furan-2-ylmethylidene)benzenesulfonamide

C11H9NO3S — CID 21235086

IUPACN-(furan-2-ylmethylidene)benzenesulfonamide
SMILESO=S(=O)(N=Cc1ccco1)c1ccccc1
InChIInChI=1S/C11H9NO3S/c13-16(14,11-6-2-1-3-7-11)12-9-10-5-4-8-15-10/h1-9H
InChIKeyYXDZYSNMAQKROQ-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.09
Rot. Bonds3

About N-(furan-2-ylmethylidene)benzenesulfonamide

N-(furan-2-ylmethylidene)benzenesulfonamide (PubChem CID 21235086) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is N-(furan-2-ylmethylidene)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylidene)benzenesulfonamide
PubChem CID21235086
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC NameN-(furan-2-ylmethylidene)benzenesulfonamide
SMILESO=S(=O)(N=Cc1ccco1)c1ccccc1
InChIInChI=1S/C11H9NO3S/c13-16(14,11-6-2-1-3-7-11)12-9-10-5-4-8-15-10/h1-9H
InChIKeyYXDZYSNMAQKROQ-UHFFFAOYSA-N
XLogP2.09
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-(furan-2-ylmethylidene)benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethylidene)benzenesulfonamide (CID 21235086) is N-(furan-2-ylmethylidene)benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethylidene)benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethylidene)benzenesulfonamide is O=S(=O)(N=Cc1ccco1)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethylidene)benzenesulfonamide?
The InChIKey is YXDZYSNMAQKROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c13-16(14,11-6-2-1-3-7-11)12-9-10-5-4-8-15-10/h1-9H.
What are the key properties of N-(furan-2-ylmethylidene)benzenesulfonamide?
N-(furan-2-ylmethylidene)benzenesulfonamide has a molecular weight of 235.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylidene)benzenesulfonamide is sourced from PubChem (CID 21235086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).