4-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylbenzenesulfonamide

C16H15F4NO3S — CID 56765479

IUPAC4-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(O)c2ccc(C(F)(F)F)cc2)ccc1F
InChIInChI=1S/C16H15F4NO3S/c1-10-8-13(6-7-14(10)17)25(23,24)21-9-15(22)11-2-4-12(5-3-11)16(18,19)20/h2-8,15,21-22H,9H2,1H3
InChIKeyHWIQWFLATSJLCX-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.16
Rot. Bonds5

About 4-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylbenzenesulfonamide

4-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylbenzenesulfonamide (PubChem CID 56765479) has the molecular formula C16H15F4NO3S and a molecular weight of 377.36 g/mol. Its IUPAC name is 4-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylbenzenesulfonamide
PubChem CID56765479
Molecular FormulaC16H15F4NO3S
Molecular Weight377.36 g/mol
Exact Mass377.07
IUPAC Name4-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(O)c2ccc(C(F)(F)F)cc2)ccc1F
InChIInChI=1S/C16H15F4NO3S/c1-10-8-13(6-7-14(10)17)25(23,24)21-9-15(22)11-2-4-12(5-3-11)16(18,19)20/h2-8,15,21-22H,9H2,1H3
InChIKeyHWIQWFLATSJLCX-UHFFFAOYSA-N
XLogP3.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide
CID 2812775
1-(3-fluorophenyl)-N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}methanesulfonamide
CID 56765478
3-chloro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-methylbenzenesulfonamide
CID 56765483
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56765486
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)cyclopropanesulfonamide
CID 56765472
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2,5-dimethylbenzenesulfonamide
CID 56765476
(S)-1,1,1-trifluoro-3-(4-fluoro-3-tolylsulfonylamino)-2-phenyl-2-propanol
CID 95367399
(R)-2-(isobutylsulfonylamino)-1-[p-(trifluoromethyl)phenyl]-1-ethanol
CID 95368245
(R)-2-(4-biphenylyl)-1-(m-fluorophenylsulfonylamino)-2-propanol
CID 96351487
(S)-3-(4-fluoro-2-tolylsulfonylamino)-1-phenyl-1-propanol
CID 97038599
(S)-1-phenyl-3-[m-(trifluoromethyl)phenylsulfonylamino]-1-propanol
CID 97038632
(R)-2-(o-fluorophenylsulfonylamino)-1-[p-(methylthio)phenyl]-1-ethanol
CID 97416938

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylbenzenesulfonamide (CID 56765479) is 4-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC(O)c2ccc(C(F)(F)F)cc2)ccc1F.
What is the InChIKey of 4-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylbenzenesulfonamide?
The InChIKey is HWIQWFLATSJLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO3S/c1-10-8-13(6-7-14(10)17)25(23,24)21-9-15(22)11-2-4-12(5-3-11)16(18,19)20/h2-8,15,21-22H,9H2,1H3.
What are the key properties of 4-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylbenzenesulfonamide?
4-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylbenzenesulfonamide has a molecular weight of 377.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 56765479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).