N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide

C9H10F3NO4S — CID 43502048

IUPACN-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccccc1OC(F)(F)F
InChIInChI=1S/C9H10F3NO4S/c10-9(11,12)17-7-3-1-2-4-8(7)18(15,16)13-5-6-14/h1-4,13-14H,5-6H2
InChIKeyWKPXLKCFVPODKU-UHFFFAOYSA-N
MW285.24 g/mol
LogP0.86
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide

N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 43502048) has the molecular formula C9H10F3NO4S and a molecular weight of 285.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID43502048
Molecular FormulaC9H10F3NO4S
Molecular Weight285.24 g/mol
Exact Mass285.03
IUPAC NameN-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccccc1OC(F)(F)F
InChIInChI=1S/C9H10F3NO4S/c10-9(11,12)17-7-3-1-2-4-8(7)18(15,16)13-5-6-14/h1-4,13-14H,5-6H2
InChIKeyWKPXLKCFVPODKU-UHFFFAOYSA-N
XLogP0.86
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 43605972
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
CID 43242362
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide
CID 31816943
N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 63731279
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 31068795
propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate
CID 3689825
N,N-diethyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 47062308
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 43242373
(2R)-3-hydroxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 80755925

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 43502048) is N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCCO)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is WKPXLKCFVPODKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO4S/c10-9(11,12)17-7-3-1-2-4-8(7)18(15,16)13-5-6-14/h1-4,13-14H,5-6H2.
What are the key properties of N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 285.24 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 43502048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).