3-[methyl-[4-(trifluoromethyl)cyclohexyl]sulfonylamino]cyclobutane-1-carboxylic acid

C13H20F3NO4S — CID 154765600

IUPAC3-[methyl-[4-(trifluoromethyl)cyclohexyl]sulfonylamino]cyclobutane-1-carboxylic acid
SMILESCN(C1CC(C(=O)O)C1)S(=O)(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO4S/c1-17(10-6-8(7-10)12(18)19)22(20,21)11-4-2-9(3-5-11)13(14,15)16/h8-11H,2-7H2,1H3,(H,18,19)
InChIKeyQIVWNYSKCWTJMY-UHFFFAOYSA-N
MW343.37 g/mol
LogP2.23
Rot. Bonds4

About 3-[methyl-[4-(trifluoromethyl)cyclohexyl]sulfonylamino]cyclobutane-1-carboxylic acid

3-[methyl-[4-(trifluoromethyl)cyclohexyl]sulfonylamino]cyclobutane-1-carboxylic acid (PubChem CID 154765600) has the molecular formula C13H20F3NO4S and a molecular weight of 343.37 g/mol. Its IUPAC name is 3-[methyl-[4-(trifluoromethyl)cyclohexyl]sulfonylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[methyl-[4-(trifluoromethyl)cyclohexyl]sulfonylamino]cyclobutane-1-carboxylic acid
PubChem CID154765600
Molecular FormulaC13H20F3NO4S
Molecular Weight343.37 g/mol
Exact Mass343.11
IUPAC Name3-[methyl-[4-(trifluoromethyl)cyclohexyl]sulfonylamino]cyclobutane-1-carboxylic acid
SMILESCN(C1CC(C(=O)O)C1)S(=O)(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO4S/c1-17(10-6-8(7-10)12(18)19)22(20,21)11-4-2-9(3-5-11)13(14,15)16/h8-11H,2-7H2,1H3,(H,18,19)
InChIKeyQIVWNYSKCWTJMY-UHFFFAOYSA-N
XLogP2.23
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[4-(trifluoromethyl)cyclohexyl]sulfonylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[methyl-[4-(trifluoromethyl)cyclohexyl]sulfonylamino]cyclobutane-1-carboxylic acid (CID 154765600) is 3-[methyl-[4-(trifluoromethyl)cyclohexyl]sulfonylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[methyl-[4-(trifluoromethyl)cyclohexyl]sulfonylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[methyl-[4-(trifluoromethyl)cyclohexyl]sulfonylamino]cyclobutane-1-carboxylic acid is CN(C1CC(C(=O)O)C1)S(=O)(=O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-[methyl-[4-(trifluoromethyl)cyclohexyl]sulfonylamino]cyclobutane-1-carboxylic acid?
The InChIKey is QIVWNYSKCWTJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO4S/c1-17(10-6-8(7-10)12(18)19)22(20,21)11-4-2-9(3-5-11)13(14,15)16/h8-11H,2-7H2,1H3,(H,18,19).
What are the key properties of 3-[methyl-[4-(trifluoromethyl)cyclohexyl]sulfonylamino]cyclobutane-1-carboxylic acid?
3-[methyl-[4-(trifluoromethyl)cyclohexyl]sulfonylamino]cyclobutane-1-carboxylic acid has a molecular weight of 343.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[4-(trifluoromethyl)cyclohexyl]sulfonylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 154765600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).