2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid

C11H18F3NO4S — CID 103342621

IUPAC2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C11H18F3NO4S/c1-7(2)15(6-11(12,13)14)20(18,19)9-5-3-4-8(9)10(16)17/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyZZGWANDXXWZZAV-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.84
Rot. Bonds5

About 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid

2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103342621) has the molecular formula C11H18F3NO4S and a molecular weight of 317.33 g/mol. Its IUPAC name is 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
PubChem CID103342621
Molecular FormulaC11H18F3NO4S
Molecular Weight317.33 g/mol
Exact Mass317.09
IUPAC Name2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C11H18F3NO4S/c1-7(2)15(6-11(12,13)14)20(18,19)9-5-3-4-8(9)10(16)17/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyZZGWANDXXWZZAV-UHFFFAOYSA-N
XLogP1.84
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid (CID 103342621) is 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid is CC(C)N(CC(F)(F)F)S(=O)(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZZGWANDXXWZZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO4S/c1-7(2)15(6-11(12,13)14)20(18,19)9-5-3-4-8(9)10(16)17/h7-9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid?
2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 317.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103342621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).