3-methoxy-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]thiophene-2-sulfonamide

C11H16F3NO4S2 — CID 126812590

IUPAC3-methoxy-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F
InChIInChI=1S/C11H16F3NO4S2/c1-6(2)8(9(16)11(12,13)14)15-21(17,18)10-7(19-3)4-5-20-10/h4-6,8-9,15-16H,1-3H3/t8-,9-/m0/s1
InChIKeyIABHDMBJZQSNLK-IUCAKERBSA-N
MW347.38 g/mol
LogP1.98
Rot. Bonds6

About 3-methoxy-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]thiophene-2-sulfonamide

3-methoxy-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]thiophene-2-sulfonamide (PubChem CID 126812590) has the molecular formula C11H16F3NO4S2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-methoxy-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]thiophene-2-sulfonamide
PubChem CID126812590
Molecular FormulaC11H16F3NO4S2
Molecular Weight347.38 g/mol
Exact Mass347.05
IUPAC Name3-methoxy-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F
InChIInChI=1S/C11H16F3NO4S2/c1-6(2)8(9(16)11(12,13)14)15-21(17,18)10-7(19-3)4-5-20-10/h4-6,8-9,15-16H,1-3H3/t8-,9-/m0/s1
InChIKeyIABHDMBJZQSNLK-IUCAKERBSA-N
XLogP1.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 3-methoxy-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]thiophene-2-sulfonamide (CID 126812590) is 3-methoxy-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-methoxy-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 3-methoxy-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]thiophene-2-sulfonamide is COc1ccsc1S(=O)(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F.
What is the InChIKey of 3-methoxy-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]thiophene-2-sulfonamide?
The InChIKey is IABHDMBJZQSNLK-IUCAKERBSA-N. The full InChI is InChI=1S/C11H16F3NO4S2/c1-6(2)8(9(16)11(12,13)14)15-21(17,18)10-7(19-3)4-5-20-10/h4-6,8-9,15-16H,1-3H3/t8-,9-/m0/s1.
What are the key properties of 3-methoxy-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]thiophene-2-sulfonamide?
3-methoxy-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]thiophene-2-sulfonamide has a molecular weight of 347.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 126812590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).