OGOUIDUKWALBGH-ZYKOEDHHSA-N

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

C₂₅H₂₆ClF₄N₅O₃S — CID 139433548

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

IUPAC5-chloro-4-[[(1R,2R,4S)-2-(dimethylamino)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide

SMILESCN(C)[C@@H]1C[C@](O)(c2cccc(C(F)(F)F)c2)CC[C@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl

InChIInChI=1S/C25H26ClF4N5O3S/c1-35(2)21-13-24(36,15-4-3-5-16(10-15)25(28,29)30)8-6-19(21)33-20-12-18(27)22(11-17(20)26)39(37,38)34-23-7-9-31-14-32-23/h3-5,7,9-12,14,19,21,33,36H,6,8,13H2,1-2H3,(H,31,32,34)/t19-,21-,24+/m1/s1

InChIKeyOGOUIDUKWALBGH-ZYKOEDHHSA-N

MW588.03 g/mol

LogP4.87

Rot. Bonds7

About OGOUIDUKWALBGH-ZYKOEDHHSA-N

OGOUIDUKWALBGH-ZYKOEDHHSA-N (PubChem CID 139433548) has the molecular formula C₂₅H₂₆ClF₄N₅O₃S and a molecular weight of 588.03 g/mol. Its IUPAC name is 5-chloro-4-[[(1R,2R,4S)-2-(dimethylamino)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name	OGOUIDUKWALBGH-ZYKOEDHHSA-N
PubChem CID	139433548
Molecular Formula	C₂₅H₂₆ClF₄N₅O₃S
Molecular Weight	588.03 g/mol
Exact Mass	587.14
IUPAC Name	5-chloro-4-[[(1R,2R,4S)-2-(dimethylamino)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide
SMILES	CN(C)[C@@H]1C[C@](O)(c2cccc(C(F)(F)F)c2)CC[C@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
InChI	InChI=1S/C25H26ClF4N5O3S/c1-35(2)21-13-24(36,15-4-3-5-16(10-15)25(28,29)30)8-6-19(21)33-20-12-18(27)22(11-17(20)26)39(37,38)34-23-7-9-31-14-32-23/h3-5,7,9-12,14,19,21,33,36H,6,8,13H2,1-2H3,(H,31,32,34)/t19-,21-,24+/m1/s1
InChIKey	OGOUIDUKWALBGH-ZYKOEDHHSA-N
XLogP	4.87
TPSA	107.45 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.03
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of OGOUIDUKWALBGH-ZYKOEDHHSA-N?

The IUPAC name of OGOUIDUKWALBGH-ZYKOEDHHSA-N (CID 139433548) is 5-chloro-4-[[(1R,2R,4S)-2-(dimethylamino)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide.

What is the SMILES notation for OGOUIDUKWALBGH-ZYKOEDHHSA-N?

The canonical SMILES for OGOUIDUKWALBGH-ZYKOEDHHSA-N is CN(C)[C@@H]1C[C@](O)(c2cccc(C(F)(F)F)c2)CC[C@H]1Nc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl.

What is the InChIKey of OGOUIDUKWALBGH-ZYKOEDHHSA-N?

The InChIKey is OGOUIDUKWALBGH-ZYKOEDHHSA-N. The full InChI is InChI=1S/C25H26ClF4N5O3S/c1-35(2)21-13-24(36,15-4-3-5-16(10-15)25(28,29)30)8-6-19(21)33-20-12-18(27)22(11-17(20)26)39(37,38)34-23-7-9-31-14-32-23/h3-5,7,9-12,14,19,21,33,36H,6,8,13H2,1-2H3,(H,31,32,34)/t19-,21-,24+/m1/s1.

What are the key properties of OGOUIDUKWALBGH-ZYKOEDHHSA-N?

OGOUIDUKWALBGH-ZYKOEDHHSA-N has a molecular weight of 588.03 g/mol, XLogP of 4.87, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for OGOUIDUKWALBGH-ZYKOEDHHSA-N is sourced from PubChem (CID 139433548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139433548 — identifiers, structure, computed properties (public domain)

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