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

C7H11NO3S — CID 91331085

IUPACN-(2,5-dimethylfuran-3-yl)methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)c(C)o1
InChIInChI=1S/C7H11NO3S/c1-5-4-7(6(2)11-5)8-12(3,9)10/h4,8H,1-3H3
InChIKeyPVMFDOHSRKLUII-UHFFFAOYSA-N
MW189.24 g/mol
LogP1.27
Rot. Bonds2

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

N-(2,5-dimethylfuran-3-yl)methanesulfonamide (PubChem CID 91331085) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is N-(2,5-dimethylfuran-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylfuran-3-yl)methanesulfonamide
PubChem CID91331085
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC NameN-(2,5-dimethylfuran-3-yl)methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)c(C)o1
InChIInChI=1S/C7H11NO3S/c1-5-4-7(6(2)11-5)8-12(3,9)10/h4,8H,1-3H3
InChIKeyPVMFDOHSRKLUII-UHFFFAOYSA-N
XLogP1.27
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylfuran-3-yl)methanesulfonamide?
The IUPAC name of N-(2,5-dimethylfuran-3-yl)methanesulfonamide (CID 91331085) is N-(2,5-dimethylfuran-3-yl)methanesulfonamide.
What is the SMILES notation for N-(2,5-dimethylfuran-3-yl)methanesulfonamide?
The canonical SMILES for N-(2,5-dimethylfuran-3-yl)methanesulfonamide is Cc1cc(NS(C)(=O)=O)c(C)o1.
What is the InChIKey of N-(2,5-dimethylfuran-3-yl)methanesulfonamide?
The InChIKey is PVMFDOHSRKLUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-5-4-7(6(2)11-5)8-12(3,9)10/h4,8H,1-3H3.
What are the key properties of N-(2,5-dimethylfuran-3-yl)methanesulfonamide?
N-(2,5-dimethylfuran-3-yl)methanesulfonamide has a molecular weight of 189.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylfuran-3-yl)methanesulfonamide is sourced from PubChem (CID 91331085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).