4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide

C9H18F3NO3S — CID 83059842

IUPAC4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H18F3NO3S/c1-8(2)13(5-6-14)17(15,16)7-3-4-9(10,11)12/h8,14H,3-7H2,1-2H3
InChIKeyWLOGSHTYIDUDBU-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.36
Rot. Bonds7

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

4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide (PubChem CID 83059842) 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-propan-2-ylbutane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide
PubChem CID83059842
Molecular FormulaC9H18F3NO3S
Molecular Weight277.31 g/mol
Exact Mass277.10
IUPAC Name4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H18F3NO3S/c1-8(2)13(5-6-14)17(15,16)7-3-4-9(10,11)12/h8,14H,3-7H2,1-2H3
InChIKeyWLOGSHTYIDUDBU-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-propan-2-ylbutane-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

1-Pentanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-
CID 110553
1-Butanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-
CID 118686
1,1,2,2,3,3,4,4,4-nonafluoro-N-(1-hydroxypropan-2-yl)-N-methylbutane-1-sulfonamide
CID 22660482
4:2 Fluorotelomer sulfonamido propyl hydroxyl amine
CID 88377089
ethane;1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
CID 144380372
1,1-difluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 43574712
1,1,1-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 43574736
1,1-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide
CID 61583011
1,1,1-trifluoro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide
CID 61583162
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 64584573
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 64584574
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 64584768

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide (CID 83059842) is 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide is CC(C)N(CCO)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide?
The InChIKey is WLOGSHTYIDUDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO3S/c1-8(2)13(5-6-14)17(15,16)7-3-4-9(10,11)12/h8,14H,3-7H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide?
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylbutane-1-sulfonamide has a molecular weight of 277.31 g/mol, XLogP of 1.36, 7 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-propan-2-ylbutane-1-sulfonamide is sourced from PubChem (CID 83059842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).