3-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid

C10H16F3NO4S — CID 43715750

IUPAC3-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO4S/c11-10(12,13)7-1-3-8(4-2-7)14-19(17,18)6-5-9(15)16/h7-8,14H,1-6H2,(H,15,16)
InChIKeyWSBBALPJDZOUOP-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.50
Rot. Bonds5

About 3-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid

3-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid (PubChem CID 43715750) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
PubChem CID43715750
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Name3-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO4S/c11-10(12,13)7-1-3-8(4-2-7)14-19(17,18)6-5-9(15)16/h7-8,14H,1-6H2,(H,15,16)
InChIKeyWSBBALPJDZOUOP-UHFFFAOYSA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid (CID 43715750) is 3-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid?
The InChIKey is WSBBALPJDZOUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c11-10(12,13)7-1-3-8(4-2-7)14-19(17,18)6-5-9(15)16/h7-8,14H,1-6H2,(H,15,16).
What are the key properties of 3-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid?
3-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid has a molecular weight of 303.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 43715750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).