N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide

C14H15NO4S — CID 66409130

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide
SMILESO=S(=O)(NCC1Cc2ccccc21)c1ccc(CO)o1
InChIInChI=1S/C14H15NO4S/c16-9-12-5-6-14(19-12)20(17,18)15-8-11-7-10-3-1-2-4-13(10)11/h1-6,11,15-16H,7-9H2
InChIKeyGQCDTQSOHJSJEL-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.39
Rot. Bonds5

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide (PubChem CID 66409130) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide
PubChem CID66409130
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide
SMILESO=S(=O)(NCC1Cc2ccccc21)c1ccc(CO)o1
InChIInChI=1S/C14H15NO4S/c16-9-12-5-6-14(19-12)20(17,18)15-8-11-7-10-3-1-2-4-13(10)11/h1-6,11,15-16H,7-9H2
InChIKeyGQCDTQSOHJSJEL-UHFFFAOYSA-N
XLogP1.39
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide (CID 66409130) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide is O=S(=O)(NCC1Cc2ccccc21)c1ccc(CO)o1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide?
The InChIKey is GQCDTQSOHJSJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c16-9-12-5-6-14(19-12)20(17,18)15-8-11-7-10-3-1-2-4-13(10)11/h1-6,11,15-16H,7-9H2.
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide has a molecular weight of 293.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide is sourced from PubChem (CID 66409130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).