5-chloro-N-[(2S,3R)-4,4,4-trifluoro-3-(3-fluorophenyl)-1-hydroxybutan-2-yl]thiophene-2-sulfonamide

C14H12ClF4NO3S2 — CID 25138322

IUPAC5-chloro-N-[(2S,3R)-4,4,4-trifluoro-3-(3-fluorophenyl)-1-hydroxybutan-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H](CO)[C@@H](c1cccc(F)c1)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClF4NO3S2/c15-11-4-5-12(24-11)25(22,23)20-10(7-21)13(14(17,18)19)8-2-1-3-9(16)6-8/h1-6,10,13,20-21H,7H2/t10-,13-/m1/s1
InChIKeyGEKAPAUKGLXFRT-ZWNOBZJWSA-N
MW417.83 g/mol
LogP3.53
Rot. Bonds6

About 5-chloro-N-[(2S,3R)-4,4,4-trifluoro-3-(3-fluorophenyl)-1-hydroxybutan-2-yl]thiophene-2-sulfonamide

5-chloro-N-[(2S,3R)-4,4,4-trifluoro-3-(3-fluorophenyl)-1-hydroxybutan-2-yl]thiophene-2-sulfonamide (PubChem CID 25138322) has the molecular formula C14H12ClF4NO3S2 and a molecular weight of 417.83 g/mol. Its IUPAC name is 5-chloro-N-[(2S,3R)-4,4,4-trifluoro-3-(3-fluorophenyl)-1-hydroxybutan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2S,3R)-4,4,4-trifluoro-3-(3-fluorophenyl)-1-hydroxybutan-2-yl]thiophene-2-sulfonamide
PubChem CID25138322
Molecular FormulaC14H12ClF4NO3S2
Molecular Weight417.83 g/mol
Exact Mass416.99
IUPAC Name5-chloro-N-[(2S,3R)-4,4,4-trifluoro-3-(3-fluorophenyl)-1-hydroxybutan-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H](CO)[C@@H](c1cccc(F)c1)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClF4NO3S2/c15-11-4-5-12(24-11)25(22,23)20-10(7-21)13(14(17,18)19)8-2-1-3-9(16)6-8/h1-6,10,13,20-21H,7H2/t10-,13-/m1/s1
InChIKeyGEKAPAUKGLXFRT-ZWNOBZJWSA-N
XLogP3.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.83
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2S,3R)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide
CID 44571713
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide
CID 44571759
5-chloro-N-[(2S,3R)-1-hydroxy-3-phenyloctan-2-yl]thiophene-2-sulfonamide
CID 44571757
5-chloro-N-[(2S)-3-hydroxy-1,1-diphenylpropan-2-yl]thiophene-2-sulfonamide
CID 44571760
5-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 71781999
5-Chloro-n-((2s,3r)-3-(3,5-difluorophenyl)-4,4,4-trifluoro-1-hydroxybutan-2-yl)thiophene-2-sulfonamide
CID 57552320
N-[(5-chlorothiophen-2-yl)sulfonyl]-4-fluorophenylalanine
CID 5296328
5-chloro-N-[(2S,3S)-3-ethyl-5,5,5-trifluoro-1-hydroxypentan-2-yl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 11350895
5-Chloro-n-[3,3,3-trifluoro-1-(hydroxymethyl)-2-phenylpropyl]thiophene-2-sulfonamide
CID 25204808
5-chloro-N-[(2R,3R)-4,4,4-trifluoro-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide
CID 25204809
5-chloro-N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide
CID 25204810
5-chloro-N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-phenylbutan-2-yl]thiophene-2-sulfonamide
CID 25204811

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S,3R)-4,4,4-trifluoro-3-(3-fluorophenyl)-1-hydroxybutan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2S,3R)-4,4,4-trifluoro-3-(3-fluorophenyl)-1-hydroxybutan-2-yl]thiophene-2-sulfonamide (CID 25138322) is 5-chloro-N-[(2S,3R)-4,4,4-trifluoro-3-(3-fluorophenyl)-1-hydroxybutan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2S,3R)-4,4,4-trifluoro-3-(3-fluorophenyl)-1-hydroxybutan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2S,3R)-4,4,4-trifluoro-3-(3-fluorophenyl)-1-hydroxybutan-2-yl]thiophene-2-sulfonamide is O=S(=O)(N[C@H](CO)[C@@H](c1cccc(F)c1)C(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2S,3R)-4,4,4-trifluoro-3-(3-fluorophenyl)-1-hydroxybutan-2-yl]thiophene-2-sulfonamide?
The InChIKey is GEKAPAUKGLXFRT-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H12ClF4NO3S2/c15-11-4-5-12(24-11)25(22,23)20-10(7-21)13(14(17,18)19)8-2-1-3-9(16)6-8/h1-6,10,13,20-21H,7H2/t10-,13-/m1/s1.
What are the key properties of 5-chloro-N-[(2S,3R)-4,4,4-trifluoro-3-(3-fluorophenyl)-1-hydroxybutan-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[(2S,3R)-4,4,4-trifluoro-3-(3-fluorophenyl)-1-hydroxybutan-2-yl]thiophene-2-sulfonamide has a molecular weight of 417.83 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S,3R)-4,4,4-trifluoro-3-(3-fluorophenyl)-1-hydroxybutan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 25138322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).