5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide

C9H9NO5S — CID 167085907

IUPAC5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide
SMILESO=NC(=O)c1ccc(CS(=O)(=O)C2CC2)o1
InChIInChI=1S/C9H9NO5S/c11-9(10-12)8-4-1-6(15-8)5-16(13,14)7-2-3-7/h1,4,7H,2-3,5H2
InChIKeyBAZKPXPAGBOGBQ-UHFFFAOYSA-N
MW243.24 g/mol
LogP1.26
Rot. Bonds4

About 5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide

5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide (PubChem CID 167085907) has the molecular formula C9H9NO5S and a molecular weight of 243.24 g/mol. Its IUPAC name is 5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide
PubChem CID167085907
Molecular FormulaC9H9NO5S
Molecular Weight243.24 g/mol
Exact Mass243.02
IUPAC Name5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide
SMILESO=NC(=O)c1ccc(CS(=O)(=O)C2CC2)o1
InChIInChI=1S/C9H9NO5S/c11-9(10-12)8-4-1-6(15-8)5-16(13,14)7-2-3-7/h1,4,7H,2-3,5H2
InChIKeyBAZKPXPAGBOGBQ-UHFFFAOYSA-N
XLogP1.26
TPSA93.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide?
The IUPAC name of 5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide (CID 167085907) is 5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide.
What is the SMILES notation for 5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide?
The canonical SMILES for 5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide is O=NC(=O)c1ccc(CS(=O)(=O)C2CC2)o1.
What is the InChIKey of 5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide?
The InChIKey is BAZKPXPAGBOGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5S/c11-9(10-12)8-4-1-6(15-8)5-16(13,14)7-2-3-7/h1,4,7H,2-3,5H2.
What are the key properties of 5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide?
5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide has a molecular weight of 243.24 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfonylmethyl)-N-oxofuran-2-carboxamide is sourced from PubChem (CID 167085907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).