N-[(3S)-3-hydroxy-3-phenylpropyl]-3-(trifluoromethyl)benzenesulfonamide

C16H16F3NO3S — CID 97038632

IUPACN-[(3S)-3-hydroxy-3-phenylpropyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC[C@H](O)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO3S/c17-16(18,19)13-7-4-8-14(11-13)24(22,23)20-10-9-15(21)12-5-2-1-3-6-12/h1-8,11,15,20-21H,9-10H2/t15-/m0/s1
InChIKeyPWSCPODOIYWSFW-HNNXBMFYSA-N
MW359.37 g/mol
LogP3.11
Rot. Bonds6

About N-[(3S)-3-hydroxy-3-phenylpropyl]-3-(trifluoromethyl)benzenesulfonamide

N-[(3S)-3-hydroxy-3-phenylpropyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 97038632) has the molecular formula C16H16F3NO3S and a molecular weight of 359.37 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-phenylpropyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-phenylpropyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID97038632
Molecular FormulaC16H16F3NO3S
Molecular Weight359.37 g/mol
Exact Mass359.08
IUPAC NameN-[(3S)-3-hydroxy-3-phenylpropyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC[C@H](O)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO3S/c17-16(18,19)13-7-4-8-14(11-13)24(22,23)20-10-9-15(21)12-5-2-1-3-6-12/h1-8,11,15,20-21H,9-10H2/t15-/m0/s1
InChIKeyPWSCPODOIYWSFW-HNNXBMFYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.11
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
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56765486
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide
CID 21426686
N-(2-cyclohexyl-2-hydroxyethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56764333
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
(S)-1-cyclopropyl-1-phenyl-2-[p-(trifluoromethyl)phenylsulfonylamino]-1-ethanol
CID 95379531
(S)-3-(4-fluoro-2-tolylsulfonylamino)-1-phenyl-1-propanol
CID 97038599
(R)-2-(o-fluorophenylsulfonylamino)-1-[p-(methylthio)phenyl]-1-ethanol
CID 97416938
4-fluoro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-3-methylbenzenesulfonamide
CID 56765479
4-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 11100455

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]-3-(trifluoromethyl)benzenesulfonamide (CID 97038632) is N-[(3S)-3-hydroxy-3-phenylpropyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-phenylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-phenylpropyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC[C@H](O)c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(3S)-3-hydroxy-3-phenylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PWSCPODOIYWSFW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16F3NO3S/c17-16(18,19)13-7-4-8-14(11-13)24(22,23)20-10-9-15(21)12-5-2-1-3-6-12/h1-8,11,15,20-21H,9-10H2/t15-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-phenylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(3S)-3-hydroxy-3-phenylpropyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 359.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-phenylpropyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 97038632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).