1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide

C9H10F3NO3S — CID 43502422

IUPAC1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide
SMILESO=S(=O)(NCC(O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO3S/c10-9(11,12)17(15,16)13-6-8(14)7-4-2-1-3-5-7/h1-5,8,13-14H,6H2
InChIKeyNLUGKYABVVHVRH-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.16
Rot. Bonds4

About 1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide

1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide (PubChem CID 43502422) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide
PubChem CID43502422
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC Name1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide
SMILESO=S(=O)(NCC(O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO3S/c10-9(11,12)17(15,16)13-6-8(14)7-4-2-1-3-5-7/h1-5,8,13-14H,6H2
InChIKeyNLUGKYABVVHVRH-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
2,2,2-trifluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 11117946
N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
CID 3731751
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 139189977
1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
CID 63901679
(2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide
CID 97025412
4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol
CID 60689484
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 114562246
N-(2-hydroxy-2-phenylethyl)-5-methylthiophene-2-sulfonamide
CID 43502482
N-(2-hydroxy-2-phenylethyl)morpholine-4-sulfonamide
CID 43502480

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide (CID 43502422) is 1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide is O=S(=O)(NCC(O)c1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide?
The InChIKey is NLUGKYABVVHVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c10-9(11,12)17(15,16)13-6-8(14)7-4-2-1-3-5-7/h1-5,8,13-14H,6H2.
What are the key properties of 1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide has a molecular weight of 269.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-hydroxy-2-phenylethyl)methanesulfonamide is sourced from PubChem (CID 43502422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).