AWBMTFDCCHSMQU-DEOSSOPVSA-N

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

C₂₆H₂₅F₄N₃O₂S — CID 24936449

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

IUPAC2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide

SMILESCC(C)(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1

InChIInChI=1S/C26H25F4N3O2S/c1-25(2,16-32-36(34,35)17-26(28,29)30)24(18-6-4-3-5-7-18)19-8-13-23-20(14-19)15-31-33(23)22-11-9-21(27)10-12-22/h3-15,24,32H,16-17H2,1-2H3/t24-/m0/s1

InChIKeyAWBMTFDCCHSMQU-DEOSSOPVSA-N

MW519.56 g/mol

LogP5.80

Rot. Bonds8

About AWBMTFDCCHSMQU-DEOSSOPVSA-N

AWBMTFDCCHSMQU-DEOSSOPVSA-N (PubChem CID 24936449) has the molecular formula C₂₆H₂₅F₄N₃O₂S and a molecular weight of 519.56 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide.

Molecular Properties

Compound Name	AWBMTFDCCHSMQU-DEOSSOPVSA-N
PubChem CID	24936449
Molecular Formula	C₂₆H₂₅F₄N₃O₂S
Molecular Weight	519.56 g/mol
Exact Mass	519.16
IUPAC Name	2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide
SMILES	CC(C)(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChI	InChI=1S/C26H25F4N3O2S/c1-25(2,16-32-36(34,35)17-26(28,29)30)24(18-6-4-3-5-7-18)19-8-13-23-20(14-19)15-31-33(23)22-11-9-21(27)10-12-22/h3-15,24,32H,16-17H2,1-2H3/t24-/m0/s1
InChIKey	AWBMTFDCCHSMQU-DEOSSOPVSA-N
XLogP	5.80
TPSA	63.99 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.56
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of AWBMTFDCCHSMQU-DEOSSOPVSA-N?

The IUPAC name of AWBMTFDCCHSMQU-DEOSSOPVSA-N (CID 24936449) is 2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]ethanesulfonamide.

What is the SMILES notation for AWBMTFDCCHSMQU-DEOSSOPVSA-N?

The canonical SMILES for AWBMTFDCCHSMQU-DEOSSOPVSA-N is CC(C)(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.

What is the InChIKey of AWBMTFDCCHSMQU-DEOSSOPVSA-N?

The InChIKey is AWBMTFDCCHSMQU-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H25F4N3O2S/c1-25(2,16-32-36(34,35)17-26(28,29)30)24(18-6-4-3-5-7-18)19-8-13-23-20(14-19)15-31-33(23)22-11-9-21(27)10-12-22/h3-15,24,32H,16-17H2,1-2H3/t24-/m0/s1.

What are the key properties of AWBMTFDCCHSMQU-DEOSSOPVSA-N?

AWBMTFDCCHSMQU-DEOSSOPVSA-N has a molecular weight of 519.56 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for AWBMTFDCCHSMQU-DEOSSOPVSA-N is sourced from PubChem (CID 24936449), 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 24936449 — identifiers, structure, computed properties (public domain)

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