2-[2,2-difluoroethyl(methyl)sulfamoyl]cyclopentane-1-carboxylic acid

C9H15F2NO4S — CID 103343457

IUPAC2-[2,2-difluoroethyl(methyl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CC(F)F)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C9H15F2NO4S/c1-12(5-8(10)11)17(15,16)7-4-2-3-6(7)9(13)14/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyNSPOQOABSLDGTM-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.77
Rot. Bonds5

About 2-[2,2-difluoroethyl(methyl)sulfamoyl]cyclopentane-1-carboxylic acid

2-[2,2-difluoroethyl(methyl)sulfamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103343457) has the molecular formula C9H15F2NO4S and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(methyl)sulfamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(methyl)sulfamoyl]cyclopentane-1-carboxylic acid
PubChem CID103343457
Molecular FormulaC9H15F2NO4S
Molecular Weight271.28 g/mol
Exact Mass271.07
IUPAC Name2-[2,2-difluoroethyl(methyl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCN(CC(F)F)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C9H15F2NO4S/c1-12(5-8(10)11)17(15,16)7-4-2-3-6(7)9(13)14/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyNSPOQOABSLDGTM-UHFFFAOYSA-N
XLogP0.77
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(methyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2,2-difluoroethyl(methyl)sulfamoyl]cyclopentane-1-carboxylic acid (CID 103343457) is 2-[2,2-difluoroethyl(methyl)sulfamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2,2-difluoroethyl(methyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2,2-difluoroethyl(methyl)sulfamoyl]cyclopentane-1-carboxylic acid is CN(CC(F)F)S(=O)(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[2,2-difluoroethyl(methyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is NSPOQOABSLDGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO4S/c1-12(5-8(10)11)17(15,16)7-4-2-3-6(7)9(13)14/h6-8H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[2,2-difluoroethyl(methyl)sulfamoyl]cyclopentane-1-carboxylic acid?
2-[2,2-difluoroethyl(methyl)sulfamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(methyl)sulfamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103343457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).