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

C11H16F3NO4S — CID 103342840

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H16F3NO4S/c12-11(13,14)6-15(7-4-5-7)20(18,19)9-3-1-2-8(9)10(16)17/h7-9H,1-6H2,(H,16,17)
InChIKeySSAQTJKVBVMCFF-UHFFFAOYSA-N
MW315.31 g/mol
LogP1.60
Rot. Bonds5

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

2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103342840) has the molecular formula C11H16F3NO4S and a molecular weight of 315.31 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
PubChem CID103342840
Molecular FormulaC11H16F3NO4S
Molecular Weight315.31 g/mol
Exact Mass315.08
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H16F3NO4S/c12-11(13,14)6-15(7-4-5-7)20(18,19)9-3-1-2-8(9)10(16)17/h7-9H,1-6H2,(H,16,17)
InChIKeySSAQTJKVBVMCFF-UHFFFAOYSA-N
XLogP1.60
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid (CID 103342840) is 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1S(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is SSAQTJKVBVMCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4S/c12-11(13,14)6-15(7-4-5-7)20(18,19)9-3-1-2-8(9)10(16)17/h7-9H,1-6H2,(H,16,17).
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid?
2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 315.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103342840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).