5-(benzenesulfonylmethyl)-N-cyclopropylfuran-2-carboxamide

C15H15NO4S — CID 6620518

IUPAC5-(benzenesulfonylmethyl)-N-cyclopropylfuran-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C15H15NO4S/c17-15(16-11-6-7-11)14-9-8-12(20-14)10-21(18,19)13-4-2-1-3-5-13/h1-5,8-9,11H,6-7,10H2,(H,16,17)
InChIKeyYFADIOLNWHYEMC-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.15
Rot. Bonds5

About 5-(benzenesulfonylmethyl)-N-cyclopropylfuran-2-carboxamide

5-(benzenesulfonylmethyl)-N-cyclopropylfuran-2-carboxamide (PubChem CID 6620518) has the molecular formula C15H15NO4S and a molecular weight of 305.35 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-cyclopropylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-cyclopropylfuran-2-carboxamide
PubChem CID6620518
Molecular FormulaC15H15NO4S
Molecular Weight305.35 g/mol
Exact Mass305.07
IUPAC Name5-(benzenesulfonylmethyl)-N-cyclopropylfuran-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(CS(=O)(=O)c2ccccc2)o1
InChIInChI=1S/C15H15NO4S/c17-15(16-11-6-7-11)14-9-8-12(20-14)10-21(18,19)13-4-2-1-3-5-13/h1-5,8-9,11H,6-7,10H2,(H,16,17)
InChIKeyYFADIOLNWHYEMC-UHFFFAOYSA-N
XLogP2.15
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-cyclopropylfuran-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-cyclopropylfuran-2-carboxamide (CID 6620518) is 5-(benzenesulfonylmethyl)-N-cyclopropylfuran-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-cyclopropylfuran-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-cyclopropylfuran-2-carboxamide is O=C(NC1CC1)c1ccc(CS(=O)(=O)c2ccccc2)o1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-cyclopropylfuran-2-carboxamide?
The InChIKey is YFADIOLNWHYEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-15(16-11-6-7-11)14-9-8-12(20-14)10-21(18,19)13-4-2-1-3-5-13/h1-5,8-9,11H,6-7,10H2,(H,16,17).
What are the key properties of 5-(benzenesulfonylmethyl)-N-cyclopropylfuran-2-carboxamide?
5-(benzenesulfonylmethyl)-N-cyclopropylfuran-2-carboxamide has a molecular weight of 305.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-cyclopropylfuran-2-carboxamide is sourced from PubChem (CID 6620518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).