N-(2,5-dimethylfuran-3-yl)sulfonylcyclohexanecarboxamide

C13H19NO4S — CID 75516364

IUPACN-(2,5-dimethylfuran-3-yl)sulfonylcyclohexanecarboxamide
SMILESCc1cc(S(=O)(=O)NC(=O)C2CCCCC2)c(C)o1
InChIInChI=1S/C13H19NO4S/c1-9-8-12(10(2)18-9)19(16,17)14-13(15)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,14,15)
InChIKeyDCNHWUCWSURXGC-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.28
Rot. Bonds3

About N-(2,5-dimethylfuran-3-yl)sulfonylcyclohexanecarboxamide

N-(2,5-dimethylfuran-3-yl)sulfonylcyclohexanecarboxamide (PubChem CID 75516364) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is N-(2,5-dimethylfuran-3-yl)sulfonylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylfuran-3-yl)sulfonylcyclohexanecarboxamide
PubChem CID75516364
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC NameN-(2,5-dimethylfuran-3-yl)sulfonylcyclohexanecarboxamide
SMILESCc1cc(S(=O)(=O)NC(=O)C2CCCCC2)c(C)o1
InChIInChI=1S/C13H19NO4S/c1-9-8-12(10(2)18-9)19(16,17)14-13(15)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,14,15)
InChIKeyDCNHWUCWSURXGC-UHFFFAOYSA-N
XLogP2.28
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonylcyclohexanecarboxamide?
The IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonylcyclohexanecarboxamide (CID 75516364) is N-(2,5-dimethylfuran-3-yl)sulfonylcyclohexanecarboxamide.
What is the SMILES notation for N-(2,5-dimethylfuran-3-yl)sulfonylcyclohexanecarboxamide?
The canonical SMILES for N-(2,5-dimethylfuran-3-yl)sulfonylcyclohexanecarboxamide is Cc1cc(S(=O)(=O)NC(=O)C2CCCCC2)c(C)o1.
What is the InChIKey of N-(2,5-dimethylfuran-3-yl)sulfonylcyclohexanecarboxamide?
The InChIKey is DCNHWUCWSURXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-9-8-12(10(2)18-9)19(16,17)14-13(15)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-(2,5-dimethylfuran-3-yl)sulfonylcyclohexanecarboxamide?
N-(2,5-dimethylfuran-3-yl)sulfonylcyclohexanecarboxamide has a molecular weight of 285.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylfuran-3-yl)sulfonylcyclohexanecarboxamide is sourced from PubChem (CID 75516364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).