4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide

C9H18F3NO3S — CID 83058644

IUPAC4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H18F3NO3S/c1-2-5-13(6-7-14)17(15,16)8-3-4-9(10,11)12/h14H,2-8H2,1H3
InChIKeyFDYLAZRGVAETEB-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.36
Rot. Bonds8

About 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide

4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide (PubChem CID 83058644) has the molecular formula C9H18F3NO3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
PubChem CID83058644
Molecular FormulaC9H18F3NO3S
Molecular Weight277.31 g/mol
Exact Mass277.10
IUPAC Name4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H18F3NO3S/c1-2-5-13(6-7-14)17(15,16)8-3-4-9(10,11)12/h14H,2-8H2,1H3
InChIKeyFDYLAZRGVAETEB-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide
CID 18735755
N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83058541
N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide
CID 89281546
2-[ethyl(4,4,4-trifluorobutylsulfonyl)amino]ethanethioamide
CID 83059834
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-propylethanesulfonamide
CID 61426140
N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide
CID 59747346
N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide
CID 18735834
2-[dipropylsulfamoyl(2-hydroxyethyl)amino]ethanol
CID 61233822
N-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide
CID 82842151
N'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide
CID 83047156
methyl 4-[hexyl(2-hydroxyethyl)sulfamoyl]butanoate
CID 61460350
methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate
CID 54951714

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide (CID 83058644) is 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide is CCCN(CCO)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide?
The InChIKey is FDYLAZRGVAETEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO3S/c1-2-5-13(6-7-14)17(15,16)8-3-4-9(10,11)12/h14H,2-8H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide?
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide has a molecular weight of 277.31 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide is sourced from PubChem (CID 83058644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).