N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide

C13H9F4NO4S — CID 169422831

IUPACN-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H9F4NO4S/c14-8-1-6-12(19)11(7-8)18-23(20,21)10-4-2-9(3-5-10)22-13(15,16)17/h1-7,18-19H
InChIKeyLLLOKYUCVLWIHP-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.23
Rot. Bonds4

About N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 169422831) has the molecular formula C13H9F4NO4S and a molecular weight of 351.28 g/mol. Its IUPAC name is N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID169422831
Molecular FormulaC13H9F4NO4S
Molecular Weight351.28 g/mol
Exact Mass351.02
IUPAC NameN-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H9F4NO4S/c14-8-1-6-12(19)11(7-8)18-23(20,21)10-4-2-9(3-5-10)22-13(15,16)17/h1-7,18-19H
InChIKeyLLLOKYUCVLWIHP-UHFFFAOYSA-N
XLogP3.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154276
N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3807348
N-(3-chloro-4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 58565471
N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 26952500
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 58565507
N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 21065087
N-(4-iodo-2-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 5092333
N-(5,6-difluoro-1H-indol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 154653153
N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 142178445
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3258852

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 169422831) is N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1cc(F)ccc1O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is LLLOKYUCVLWIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO4S/c14-8-1-6-12(19)11(7-8)18-23(20,21)10-4-2-9(3-5-10)22-13(15,16)17/h1-7,18-19H.
What are the key properties of N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 351.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 169422831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).