5-chloro-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide

C10H13ClF3NO3S2 — CID 11291100

IUPAC5-chloro-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide
SMILESC[C@H](CC(F)(F)F)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClF3NO3S2/c1-6(4-10(12,13)14)7(5-16)15-20(17,18)9-3-2-8(11)19-9/h2-3,6-7,15-16H,4-5H2,1H3/t6-,7-/m1/s1
InChIKeyUJIHZLJAUMPTFR-RNFRBKRXSA-N
MW351.80 g/mol
LogP2.63
Rot. Bonds6

About 5-chloro-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide

5-chloro-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide (PubChem CID 11291100) has the molecular formula C10H13ClF3NO3S2 and a molecular weight of 351.80 g/mol. Its IUPAC name is 5-chloro-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide
PubChem CID11291100
Molecular FormulaC10H13ClF3NO3S2
Molecular Weight351.80 g/mol
Exact Mass351.00
IUPAC Name5-chloro-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide
SMILESC[C@H](CC(F)(F)F)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClF3NO3S2/c1-6(4-10(12,13)14)7(5-16)15-20(17,18)9-3-2-8(11)19-9/h2-3,6-7,15-16H,4-5H2,1H3/t6-,7-/m1/s1
InChIKeyUJIHZLJAUMPTFR-RNFRBKRXSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide (CID 11291100) is 5-chloro-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide is C[C@H](CC(F)(F)F)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide?
The InChIKey is UJIHZLJAUMPTFR-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H13ClF3NO3S2/c1-6(4-10(12,13)14)7(5-16)15-20(17,18)9-3-2-8(11)19-9/h2-3,6-7,15-16H,4-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of 5-chloro-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide has a molecular weight of 351.80 g/mol, XLogP of 2.63, 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)-5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 11291100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).