N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide

C13H12F3NO3S2 — CID 95376528

IUPACN-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC[C@](O)(c1ccccc1)C(F)(F)F)c1cccs1
InChIInChI=1S/C13H12F3NO3S2/c14-13(15,16)12(18,10-5-2-1-3-6-10)9-17-22(19,20)11-7-4-8-21-11/h1-8,17-18H,9H2/t12-/m0/s1
InChIKeyASOTVRCFEXXERB-LBPRGKRZSA-N
MW351.37 g/mol
LogP2.48
Rot. Bonds5

About N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide

N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide (PubChem CID 95376528) has the molecular formula C13H12F3NO3S2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide
PubChem CID95376528
Molecular FormulaC13H12F3NO3S2
Molecular Weight351.37 g/mol
Exact Mass351.02
IUPAC NameN-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC[C@](O)(c1ccccc1)C(F)(F)F)c1cccs1
InChIInChI=1S/C13H12F3NO3S2/c14-13(15,16)12(18,10-5-2-1-3-6-10)9-17-22(19,20)11-7-4-8-21-11/h1-8,17-18H,9H2/t12-/m0/s1
InChIKeyASOTVRCFEXXERB-LBPRGKRZSA-N
XLogP2.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498025
4-bromo-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498080
2,4-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498039
1-(thiophen-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
CID 90498154
4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 71781995
4-methoxy-2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95376544
2,5-dimethoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498068
1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]imidazole-4-sulfonamide
CID 97355094
1-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]pyrazole-4-sulfonamide
CID 99819088
3,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,2-oxazole-4-sulfonamide
CID 95376531
N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 95367420
N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide
CID 103835023

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide (CID 95376528) is N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide is O=S(=O)(NC[C@](O)(c1ccccc1)C(F)(F)F)c1cccs1.
What is the InChIKey of N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide?
The InChIKey is ASOTVRCFEXXERB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H12F3NO3S2/c14-13(15,16)12(18,10-5-2-1-3-6-10)9-17-22(19,20)11-7-4-8-21-11/h1-8,17-18H,9H2/t12-/m0/s1.
What are the key properties of N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide?
N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide has a molecular weight of 351.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 95376528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).