5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide

C9H8F7NO3S2 — CID 11303371

IUPAC5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H](CO)C(C(F)(F)F)C(F)(F)F)c1ccc(F)s1
InChIInChI=1S/C9H8F7NO3S2/c10-5-1-2-6(21-5)22(19,20)17-4(3-18)7(8(11,12)13)9(14,15)16/h1-2,4,7,17-18H,3H2/t4-/m1/s1
InChIKeyJWHIZLATPLDVAU-SCSAIBSYSA-N
MW375.29 g/mol
LogP2.27
Rot. Bonds5

About 5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide

5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide (PubChem CID 11303371) has the molecular formula C9H8F7NO3S2 and a molecular weight of 375.29 g/mol. Its IUPAC name is 5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
PubChem CID11303371
Molecular FormulaC9H8F7NO3S2
Molecular Weight375.29 g/mol
Exact Mass374.98
IUPAC Name5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H](CO)C(C(F)(F)F)C(F)(F)F)c1ccc(F)s1
InChIInChI=1S/C9H8F7NO3S2/c10-5-1-2-6(21-5)22(19,20)17-4(3-18)7(8(11,12)13)9(14,15)16/h1-2,4,7,17-18H,3H2/t4-/m1/s1
InChIKeyJWHIZLATPLDVAU-SCSAIBSYSA-N
XLogP2.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide with MolForge

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Related Compounds

5-bromo-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
CID 11476060
N-(3-ethyl-1-hydroxypentan-2-yl)-5-fluorothiophene-2-sulfonamide
CID 22500717
N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]-1-benzothiophene-2-sulfonamide
CID 11407129
(2S)-2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol;5-chlorothiophene-2-sulfonyl chloride;5-chloro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide;methane;hydrochloride
CID 159664258
4-methyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide
CID 24765550
5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide
CID 72786260
5-fluoro-N-[4-fluoro-3,3-bis[fluoro(hydroxy)methyl]-4-hydroxy-2-(trifluoromethyl)butyl]thiophene-2-sulfonamide
CID 87872564
5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106269433
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
3-methoxy-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide
CID 24765548
5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide
CID 10292550
5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide
CID 65314645

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide (CID 11303371) is 5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide is O=S(=O)(N[C@H](CO)C(C(F)(F)F)C(F)(F)F)c1ccc(F)s1.
What is the InChIKey of 5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide?
The InChIKey is JWHIZLATPLDVAU-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H8F7NO3S2/c10-5-1-2-6(21-5)22(19,20)17-4(3-18)7(8(11,12)13)9(14,15)16/h1-2,4,7,17-18H,3H2/t4-/m1/s1.
What are the key properties of 5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide?
5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide has a molecular weight of 375.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 11303371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).