AWBVWPSTTGCYNE-POYBYMJQSA-N

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

C₉H₁₂F₃N₃O₃S — CID 134541790

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

IUPAC(2S,3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide

SMILESCc1cnc([C@](O)([C@H](C)S(N)(=O)=O)C(F)(F)F)nc1

InChIInChI=1S/C9H12F3N3O3S/c1-5-3-14-7(15-4-5)8(16,9(10,11)12)6(2)19(13,17)18/h3-4,6,16H,1-2H3,(H2,13,17,18)/t6-,8+/m0/s1

InChIKeyAWBVWPSTTGCYNE-POYBYMJQSA-N

MW299.27 g/mol

LogP0.21

Rot. Bonds3

About AWBVWPSTTGCYNE-POYBYMJQSA-N

AWBVWPSTTGCYNE-POYBYMJQSA-N (PubChem CID 134541790) has the molecular formula C₉H₁₂F₃N₃O₃S and a molecular weight of 299.27 g/mol. Its IUPAC name is (2S,3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide.

Molecular Properties

Compound Name	AWBVWPSTTGCYNE-POYBYMJQSA-N
PubChem CID	134541790
Molecular Formula	C₉H₁₂F₃N₃O₃S
Molecular Weight	299.27 g/mol
Exact Mass	299.06
IUPAC Name	(2S,3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide
SMILES	Cc1cnc([C@](O)([C@H](C)S(N)(=O)=O)C(F)(F)F)nc1
InChI	InChI=1S/C9H12F3N3O3S/c1-5-3-14-7(15-4-5)8(16,9(10,11)12)6(2)19(13,17)18/h3-4,6,16H,1-2H3,(H2,13,17,18)/t6-,8+/m0/s1
InChIKey	AWBVWPSTTGCYNE-POYBYMJQSA-N
XLogP	0.21
TPSA	106.17 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.27
LogP ≤ 5	0.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of AWBVWPSTTGCYNE-POYBYMJQSA-N?

The IUPAC name of AWBVWPSTTGCYNE-POYBYMJQSA-N (CID 134541790) is (2S,3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide.

What is the SMILES notation for AWBVWPSTTGCYNE-POYBYMJQSA-N?

The canonical SMILES for AWBVWPSTTGCYNE-POYBYMJQSA-N is Cc1cnc([C@](O)([C@H](C)S(N)(=O)=O)C(F)(F)F)nc1.

What is the InChIKey of AWBVWPSTTGCYNE-POYBYMJQSA-N?

The InChIKey is AWBVWPSTTGCYNE-POYBYMJQSA-N. The full InChI is InChI=1S/C9H12F3N3O3S/c1-5-3-14-7(15-4-5)8(16,9(10,11)12)6(2)19(13,17)18/h3-4,6,16H,1-2H3,(H2,13,17,18)/t6-,8+/m0/s1.

What are the key properties of AWBVWPSTTGCYNE-POYBYMJQSA-N?

AWBVWPSTTGCYNE-POYBYMJQSA-N has a molecular weight of 299.27 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for AWBVWPSTTGCYNE-POYBYMJQSA-N is sourced from PubChem (CID 134541790), 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 134541790 — identifiers, structure, computed properties (public domain)

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