N-(2,5-dimethylfuran-3-yl)sulfonyl-3,3-difluorocyclohexane-1-carboxamide

C13H17F2NO4S — CID 146083310

IUPACN-(2,5-dimethylfuran-3-yl)sulfonyl-3,3-difluorocyclohexane-1-carboxamide
SMILESCc1cc(S(=O)(=O)NC(=O)C2CCCC(F)(F)C2)c(C)o1
InChIInChI=1S/C13H17F2NO4S/c1-8-6-11(9(2)20-8)21(18,19)16-12(17)10-4-3-5-13(14,15)7-10/h6,10H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyJJOWHDWWAGYQDM-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.53
Rot. Bonds3

About N-(2,5-dimethylfuran-3-yl)sulfonyl-3,3-difluorocyclohexane-1-carboxamide

N-(2,5-dimethylfuran-3-yl)sulfonyl-3,3-difluorocyclohexane-1-carboxamide (PubChem CID 146083310) has the molecular formula C13H17F2NO4S and a molecular weight of 321.35 g/mol. Its IUPAC name is N-(2,5-dimethylfuran-3-yl)sulfonyl-3,3-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylfuran-3-yl)sulfonyl-3,3-difluorocyclohexane-1-carboxamide
PubChem CID146083310
Molecular FormulaC13H17F2NO4S
Molecular Weight321.35 g/mol
Exact Mass321.08
IUPAC NameN-(2,5-dimethylfuran-3-yl)sulfonyl-3,3-difluorocyclohexane-1-carboxamide
SMILESCc1cc(S(=O)(=O)NC(=O)C2CCCC(F)(F)C2)c(C)o1
InChIInChI=1S/C13H17F2NO4S/c1-8-6-11(9(2)20-8)21(18,19)16-12(17)10-4-3-5-13(14,15)7-10/h6,10H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyJJOWHDWWAGYQDM-UHFFFAOYSA-N
XLogP2.53
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.53
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)sulfonyl-3,3-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonyl-3,3-difluorocyclohexane-1-carboxamide (CID 146083310) is N-(2,5-dimethylfuran-3-yl)sulfonyl-3,3-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylfuran-3-yl)sulfonyl-3,3-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylfuran-3-yl)sulfonyl-3,3-difluorocyclohexane-1-carboxamide is Cc1cc(S(=O)(=O)NC(=O)C2CCCC(F)(F)C2)c(C)o1.
What is the InChIKey of N-(2,5-dimethylfuran-3-yl)sulfonyl-3,3-difluorocyclohexane-1-carboxamide?
The InChIKey is JJOWHDWWAGYQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO4S/c1-8-6-11(9(2)20-8)21(18,19)16-12(17)10-4-3-5-13(14,15)7-10/h6,10H,3-5,7H2,1-2H3,(H,16,17).
What are the key properties of N-(2,5-dimethylfuran-3-yl)sulfonyl-3,3-difluorocyclohexane-1-carboxamide?
N-(2,5-dimethylfuran-3-yl)sulfonyl-3,3-difluorocyclohexane-1-carboxamide has a molecular weight of 321.35 g/mol, XLogP of 2.53, 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)sulfonyl-3,3-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 146083310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).