N-(4-cyano-2,3-dihydrofuran-5-yl)-3-methylsulfonylbenzamide

C13H12N2O4S — CID 7656005

IUPACN-(4-cyano-2,3-dihydrofuran-5-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NC2=C(C#N)CCO2)c1
InChIInChI=1S/C13H12N2O4S/c1-20(17,18)11-4-2-3-9(7-11)12(16)15-13-10(8-14)5-6-19-13/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyLFWLFMJZCQJYKS-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.98
Rot. Bonds3

About N-(4-cyano-2,3-dihydrofuran-5-yl)-3-methylsulfonylbenzamide

N-(4-cyano-2,3-dihydrofuran-5-yl)-3-methylsulfonylbenzamide (PubChem CID 7656005) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-(4-cyano-2,3-dihydrofuran-5-yl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-cyano-2,3-dihydrofuran-5-yl)-3-methylsulfonylbenzamide
PubChem CID7656005
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC NameN-(4-cyano-2,3-dihydrofuran-5-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NC2=C(C#N)CCO2)c1
InChIInChI=1S/C13H12N2O4S/c1-20(17,18)11-4-2-3-9(7-11)12(16)15-13-10(8-14)5-6-19-13/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyLFWLFMJZCQJYKS-UHFFFAOYSA-N
XLogP0.98
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
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N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735
3-methyl-5-[(3-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
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3-methyl-N-(3-methylsulfonylphenyl)benzamide
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(3-methylsulfonylphenyl)-(oxan-4-yl)methanone
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N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2,3-dihydrofuran-5-yl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(4-cyano-2,3-dihydrofuran-5-yl)-3-methylsulfonylbenzamide (CID 7656005) is N-(4-cyano-2,3-dihydrofuran-5-yl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-cyano-2,3-dihydrofuran-5-yl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(4-cyano-2,3-dihydrofuran-5-yl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)NC2=C(C#N)CCO2)c1.
What is the InChIKey of N-(4-cyano-2,3-dihydrofuran-5-yl)-3-methylsulfonylbenzamide?
The InChIKey is LFWLFMJZCQJYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-20(17,18)11-4-2-3-9(7-11)12(16)15-13-10(8-14)5-6-19-13/h2-4,7H,5-6H2,1H3,(H,15,16).
What are the key properties of N-(4-cyano-2,3-dihydrofuran-5-yl)-3-methylsulfonylbenzamide?
N-(4-cyano-2,3-dihydrofuran-5-yl)-3-methylsulfonylbenzamide has a molecular weight of 292.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2,3-dihydrofuran-5-yl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 7656005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).