2-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid

C9H14F3NO4S — CID 43715764

IUPAC2-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)6-3-1-2-4-7(6)13-18(16,17)5-8(14)15/h6-7,13H,1-5H2,(H,14,15)
InChIKeyRJLRZYXGGZZYDE-UHFFFAOYSA-N
MW289.28 g/mol
LogP1.11
Rot. Bonds4

About 2-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid

2-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid (PubChem CID 43715764) has the molecular formula C9H14F3NO4S and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid
PubChem CID43715764
Molecular FormulaC9H14F3NO4S
Molecular Weight289.28 g/mol
Exact Mass289.06
IUPAC Name2-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)6-3-1-2-4-7(6)13-18(16,17)5-8(14)15/h6-7,13H,1-5H2,(H,14,15)
InChIKeyRJLRZYXGGZZYDE-UHFFFAOYSA-N
XLogP1.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Methylsulfonylmethyl)cyclohexan-1-amine;2,2,2-trifluoroacetic acid
CID 71062055
trans-4-[2-(methylsulfonyl)ethyl]cyclohexanamine TFA salt
CID 86717424
(4-Aminocyclohexyl)methanesulfonic acid;2,2,2-trifluoroacetic acid
CID 87232984
(4-Aminocyclohexyl)methylsulfonyl 2,2,2-trifluoroacetate
CID 87232985
Amino(cyclohexyl)methanesulfonic acid;2,2,2-trifluoroacetic acid
CID 87254069
[Amino(cyclohexyl)methyl]sulfonyl 2,2,2-trifluoroacetate
CID 87254071
[[4-(Aminomethyl)cyclohexyl]-ethylsulfonylamino] 2,2,2-trifluoroacetate
CID 175060368
2-[[3-(Trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid
CID 43715479
4-[[3-(Trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 43715481
3-[[3-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 43715482
2-[[4-(Trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid
CID 43715748
4-[[4-(Trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 43715749

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid (CID 43715764) is 2-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid?
The InChIKey is RJLRZYXGGZZYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4S/c10-9(11,12)6-3-1-2-4-7(6)13-18(16,17)5-8(14)15/h6-7,13H,1-5H2,(H,14,15).
What are the key properties of 2-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid?
2-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid has a molecular weight of 289.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid is sourced from PubChem (CID 43715764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).