4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C8H8F3NO3S — CID 43135522

IUPAC4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccc(O)cc1
InChIInChI=1S/C8H8F3NO3S/c9-8(10,11)5-12-16(14,15)7-3-1-6(13)2-4-7/h1-4,12-13H,5H2
InChIKeyJMNPGDAFUCUBQN-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.23
Rot. Bonds3

About 4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 43135522) has the molecular formula C8H8F3NO3S and a molecular weight of 255.22 g/mol. Its IUPAC name is 4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID43135522
Molecular FormulaC8H8F3NO3S
Molecular Weight255.22 g/mol
Exact Mass255.02
IUPAC Name4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccc(O)cc1
InChIInChI=1S/C8H8F3NO3S/c9-8(10,11)5-12-16(14,15)7-3-1-6(13)2-4-7/h1-4,12-13H,5H2
InChIKeyJMNPGDAFUCUBQN-UHFFFAOYSA-N
XLogP1.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703
4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride
CID 43096777
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 3734615
4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43454892
1-N-[2-(ethylamino)ethyl]-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119973745
N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60821922
4-hydroxy-N-(4,4,4-trifluoro-1-hydroxybutyl)benzenesulfonamide
CID 170128451
3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267871
2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267865

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 43135522) is 4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(NCC(F)(F)F)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is JMNPGDAFUCUBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3S/c9-8(10,11)5-12-16(14,15)7-3-1-6(13)2-4-7/h1-4,12-13H,5H2.
What are the key properties of 4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 255.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 43135522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).