(2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol

C20H20F2N2O5S — CID 126584154

IUPAC(2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol
SMILESO=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cc1)N1C[C@H](F)[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C20H20F2N2O5S/c21-12-3-6-14-15(8-23-17(14)7-12)11-1-4-13(5-2-11)30(28,29)24-9-16(22)19(26)20(27)18(24)10-25/h1-8,16,18-20,23,25-27H,9-10H2/t16-,18+,19+,20+/m0/s1
InChIKeyBEFLCWOSSCEMOC-MTFMMBMASA-N
MW438.45 g/mol
LogP1.40
Rot. Bonds4

About (2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol

(2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol (PubChem CID 126584154) has the molecular formula C20H20F2N2O5S and a molecular weight of 438.45 g/mol. Its IUPAC name is (2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol
PubChem CID126584154
Molecular FormulaC20H20F2N2O5S
Molecular Weight438.45 g/mol
Exact Mass438.11
IUPAC Name(2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol
SMILESO=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cc1)N1C[C@H](F)[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C20H20F2N2O5S/c21-12-3-6-14-15(8-23-17(14)7-12)11-1-4-13(5-2-11)30(28,29)24-9-16(22)19(26)20(27)18(24)10-25/h1-8,16,18-20,23,25-27H,9-10H2/t16-,18+,19+,20+/m0/s1
InChIKeyBEFLCWOSSCEMOC-MTFMMBMASA-N
XLogP1.40
TPSA113.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol (CID 126584154) is (2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol is O=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cc1)N1C[C@H](F)[C@@H](O)[C@H](O)[C@H]1CO.
What is the InChIKey of (2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol?
The InChIKey is BEFLCWOSSCEMOC-MTFMMBMASA-N. The full InChI is InChI=1S/C20H20F2N2O5S/c21-12-3-6-14-15(8-23-17(14)7-12)11-1-4-13(5-2-11)30(28,29)24-9-16(22)19(26)20(27)18(24)10-25/h1-8,16,18-20,23,25-27H,9-10H2/t16-,18+,19+,20+/m0/s1.
What are the key properties of (2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol?
(2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol has a molecular weight of 438.45 g/mol, XLogP of 1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 126584154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).