Sotagliflozin

Name: Sotagliflozin — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₅ClO₅S — CID 24831714

💊View drug profile → sotagliflozin

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triol

SMILESCCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1

InChIInChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1

InChIKeyQKDRXGFQVGOQKS-CRSSMBPESA-N

MW424.95 g/mol

LogP3.17

Rot. Bonds6

About Sotagliflozin

Sotagliflozin (PubChem CID 24831714) has the molecular formula C₂₁H₂₅ClO₅S and a molecular weight of 424.95 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triol.

Molecular Properties

Compound Name	Sotagliflozin
PubChem CID	24831714
Molecular Formula	C₂₁H₂₅ClO₅S
Molecular Weight	424.95 g/mol
Exact Mass	424.11
IUPAC Name	(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triol
SMILES	CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
InChI	InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
InChIKey	QKDRXGFQVGOQKS-CRSSMBPESA-N
XLogP	3.17
TPSA	79.15 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.95
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Sotagliflozin?

The IUPAC name of Sotagliflozin (CID 24831714) is (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triol.

What is the SMILES notation for Sotagliflozin?

The canonical SMILES for Sotagliflozin is CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1.

What is the InChIKey of Sotagliflozin?

The InChIKey is QKDRXGFQVGOQKS-CRSSMBPESA-N. The full InChI is InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1.

What are the key properties of Sotagliflozin?

Sotagliflozin has a molecular weight of 424.95 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Sotagliflozin is sourced from PubChem (CID 24831714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: S · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 24831714 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 5339 — approved-drug record (CC BY-SA 4.0)

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