4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

C9H16F3NO4S — CID 54876267

IUPAC4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H16F3NO4S/c1-7(2)13(6-9(10,11)12)18(16,17)5-3-4-8(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeySGKNALJEPKANJW-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.45
Rot. Bonds7

About 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid

4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (PubChem CID 54876267) has the molecular formula C9H16F3NO4S and a molecular weight of 291.29 g/mol. Its IUPAC name is 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
PubChem CID54876267
Molecular FormulaC9H16F3NO4S
Molecular Weight291.29 g/mol
Exact Mass291.08
IUPAC Name4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H16F3NO4S/c1-7(2)13(6-9(10,11)12)18(16,17)5-3-4-8(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeySGKNALJEPKANJW-UHFFFAOYSA-N
XLogP1.45
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876241
4-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 54876266
2-[Butyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947756
2-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947862
4-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011177
Methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 55011178
2-[Cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
4-[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 55011516
Methyl 4-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoate
CID 55011712
3-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55028962
4-[Difluoromethylsulfonyl(propan-2-yl)amino]butanoic acid
CID 60829785
4-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60891738

Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid (CID 54876267) is 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is CC(C)N(CC(F)(F)F)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
The InChIKey is SGKNALJEPKANJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO4S/c1-7(2)13(6-9(10,11)12)18(16,17)5-3-4-8(14)15/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid?
4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid has a molecular weight of 291.29 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 54876267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).