1-(3-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide

C16H15F4NO3S — CID 56765478

IUPAC1-(3-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F4NO3S/c17-14-3-1-2-11(8-14)10-25(23,24)21-9-15(22)12-4-6-13(7-5-12)16(18,19)20/h1-8,15,21-22H,9-10H2
InChIKeyDLKDAITUAXKZHY-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.00
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide

1-(3-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide (PubChem CID 56765478) has the molecular formula C16H15F4NO3S and a molecular weight of 377.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
PubChem CID56765478
Molecular FormulaC16H15F4NO3S
Molecular Weight377.36 g/mol
Exact Mass377.07
IUPAC Name1-(3-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F4NO3S/c17-14-3-1-2-11(8-14)10-25(23,24)21-9-15(22)12-4-6-13(7-5-12)16(18,19)20/h1-8,15,21-22H,9-10H2
InChIKeyDLKDAITUAXKZHY-UHFFFAOYSA-N
XLogP3.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide
CID 71451220
N-[2-hydroxy-2-(4-methylphenyl)ethyl]dodecane-1-sulfonamide
CID 71460250
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)cyclopropanesulfonamide
CID 56765472
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2,5-dimethylbenzenesulfonamide
CID 56765476
1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)methanesulfonamide
CID 71781996
1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
CID 75387105
(R)-2-(isobutylsulfonylamino)-1-[p-(trifluoromethyl)phenyl]-1-ethanol
CID 95368245
(R)-2-(4-biphenylyl)-1-[(p-fluorophenyl)methylsulfonylamino]-2-propanol
CID 96351493
(S)-1-phenyl-3-[m-(trifluoromethyl)phenylsulfonylamino]-1-propanol
CID 97038632
{[p-(trifluoromethyl)phenyl]methylsulfonyl}[(R)-2-(o-fluorophenyl)-2-methoxypropyl]amine
CID 97428480
4-fluoro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-3-methylbenzenesulfonamide
CID 56765479
3-chloro-4-fluoro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)benzenesulfonamide
CID 56765485

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide (CID 56765478) is 1-(3-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
The InChIKey is DLKDAITUAXKZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO3S/c17-14-3-1-2-11(8-14)10-25(23,24)21-9-15(22)12-4-6-13(7-5-12)16(18,19)20/h1-8,15,21-22H,9-10H2.
What are the key properties of 1-(3-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide?
1-(3-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide has a molecular weight of 377.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 56765478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).