5-(cyclopentylsulfonylmethyl)-N,N-dimethylfuran-2-sulfonamide

C12H19NO5S2 — CID 71878288

IUPAC5-(cyclopentylsulfonylmethyl)-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CS(=O)(=O)C2CCCC2)o1
InChIInChI=1S/C12H19NO5S2/c1-13(2)20(16,17)12-8-7-10(18-12)9-19(14,15)11-5-3-4-6-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyGHVLQFREGJSILV-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.39
Rot. Bonds5

About 5-(cyclopentylsulfonylmethyl)-N,N-dimethylfuran-2-sulfonamide

5-(cyclopentylsulfonylmethyl)-N,N-dimethylfuran-2-sulfonamide (PubChem CID 71878288) has the molecular formula C12H19NO5S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-(cyclopentylsulfonylmethyl)-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-(cyclopentylsulfonylmethyl)-N,N-dimethylfuran-2-sulfonamide
PubChem CID71878288
Molecular FormulaC12H19NO5S2
Molecular Weight321.42 g/mol
Exact Mass321.07
IUPAC Name5-(cyclopentylsulfonylmethyl)-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CS(=O)(=O)C2CCCC2)o1
InChIInChI=1S/C12H19NO5S2/c1-13(2)20(16,17)12-8-7-10(18-12)9-19(14,15)11-5-3-4-6-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyGHVLQFREGJSILV-UHFFFAOYSA-N
XLogP1.39
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylsulfonylmethyl)-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-(cyclopentylsulfonylmethyl)-N,N-dimethylfuran-2-sulfonamide (CID 71878288) is 5-(cyclopentylsulfonylmethyl)-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-(cyclopentylsulfonylmethyl)-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-(cyclopentylsulfonylmethyl)-N,N-dimethylfuran-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)C2CCCC2)o1.
What is the InChIKey of 5-(cyclopentylsulfonylmethyl)-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is GHVLQFREGJSILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5S2/c1-13(2)20(16,17)12-8-7-10(18-12)9-19(14,15)11-5-3-4-6-11/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of 5-(cyclopentylsulfonylmethyl)-N,N-dimethylfuran-2-sulfonamide?
5-(cyclopentylsulfonylmethyl)-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 321.42 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylsulfonylmethyl)-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 71878288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).