VUGBFLKYVDOFFQ-BHDDXSALSA-N

Name: VUGBFLKYVDOFFQ-BHDDXSALSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₂₆F₄N₂O₄S — CID 154617125

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

IUPACN-[(2S,3R)-2-[[3-(3,5-difluorophenyl)phenyl]methyl]-4,4-difluoro-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]ethanesulfonamide

SMILESCCS(=O)(=O)N[C@@H]1[C@H](Cc2cccc(-c3cc(F)cc(F)c3)c2)N(C(=O)[C@H]2CCCO2)CC1(F)F

InChIInChI=1S/C24H26F4N2O4S/c1-2-35(32,33)29-22-20(30(14-24(22,27)28)23(31)21-7-4-8-34-21)10-15-5-3-6-16(9-15)17-11-18(25)13-19(26)12-17/h3,5-6,9,11-13,20-22,29H,2,4,7-8,10,14H2,1H3/t20-,21+,22+/m0/s1

InChIKeyVUGBFLKYVDOFFQ-BHDDXSALSA-N

MW514.54 g/mol

LogP3.51

Rot. Bonds7

About VUGBFLKYVDOFFQ-BHDDXSALSA-N

VUGBFLKYVDOFFQ-BHDDXSALSA-N (PubChem CID 154617125) has the molecular formula C₂₄H₂₆F₄N₂O₄S and a molecular weight of 514.54 g/mol. Its IUPAC name is N-[(2S,3R)-2-[[3-(3,5-difluorophenyl)phenyl]methyl]-4,4-difluoro-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name	VUGBFLKYVDOFFQ-BHDDXSALSA-N
PubChem CID	154617125
Molecular Formula	C₂₄H₂₆F₄N₂O₄S
Molecular Weight	514.54 g/mol
Exact Mass	514.15
IUPAC Name	N-[(2S,3R)-2-[[3-(3,5-difluorophenyl)phenyl]methyl]-4,4-difluoro-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]ethanesulfonamide
SMILES	CCS(=O)(=O)N[C@@H]1[C@H](Cc2cccc(-c3cc(F)cc(F)c3)c2)N(C(=O)[C@H]2CCCO2)CC1(F)F
InChI	InChI=1S/C24H26F4N2O4S/c1-2-35(32,33)29-22-20(30(14-24(22,27)28)23(31)21-7-4-8-34-21)10-15-5-3-6-16(9-15)17-11-18(25)13-19(26)12-17/h3,5-6,9,11-13,20-22,29H,2,4,7-8,10,14H2,1H3/t20-,21+,22+/m0/s1
InChIKey	VUGBFLKYVDOFFQ-BHDDXSALSA-N
XLogP	3.51
TPSA	75.71 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.54
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of VUGBFLKYVDOFFQ-BHDDXSALSA-N?

The IUPAC name of VUGBFLKYVDOFFQ-BHDDXSALSA-N (CID 154617125) is N-[(2S,3R)-2-[[3-(3,5-difluorophenyl)phenyl]methyl]-4,4-difluoro-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]ethanesulfonamide.

What is the SMILES notation for VUGBFLKYVDOFFQ-BHDDXSALSA-N?

The canonical SMILES for VUGBFLKYVDOFFQ-BHDDXSALSA-N is CCS(=O)(=O)N[C@@H]1[C@H](Cc2cccc(-c3cc(F)cc(F)c3)c2)N(C(=O)[C@H]2CCCO2)CC1(F)F.

What is the InChIKey of VUGBFLKYVDOFFQ-BHDDXSALSA-N?

The InChIKey is VUGBFLKYVDOFFQ-BHDDXSALSA-N. The full InChI is InChI=1S/C24H26F4N2O4S/c1-2-35(32,33)29-22-20(30(14-24(22,27)28)23(31)21-7-4-8-34-21)10-15-5-3-6-16(9-15)17-11-18(25)13-19(26)12-17/h3,5-6,9,11-13,20-22,29H,2,4,7-8,10,14H2,1H3/t20-,21+,22+/m0/s1.

What are the key properties of VUGBFLKYVDOFFQ-BHDDXSALSA-N?

VUGBFLKYVDOFFQ-BHDDXSALSA-N has a molecular weight of 514.54 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for VUGBFLKYVDOFFQ-BHDDXSALSA-N is sourced from PubChem (CID 154617125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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

Sources

PubChem CID 154617125 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.