3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide

C13H11F3N2O4S2 — CID 10547789

IUPAC3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)c2nccs2)cc1)C(F)(F)F
InChIInChI=1S/C13H11F3N2O4S2/c1-12(20,13(14,15)16)10(19)18-8-2-4-9(5-3-8)24(21,22)11-17-6-7-23-11/h2-7,20H,1H3,(H,18,19)
InChIKeyVLAQPMGYVZZRGM-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.23
Rot. Bonds4

About 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide

3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide (PubChem CID 10547789) has the molecular formula C13H11F3N2O4S2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide
PubChem CID10547789
Molecular FormulaC13H11F3N2O4S2
Molecular Weight380.37 g/mol
Exact Mass380.01
IUPAC Name3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)c2nccs2)cc1)C(F)(F)F
InChIInChI=1S/C13H11F3N2O4S2/c1-12(20,13(14,15)16)10(19)18-8-2-4-9(5-3-8)24(21,22)11-17-6-7-23-11/h2-7,20H,1H3,(H,18,19)
InChIKeyVLAQPMGYVZZRGM-UHFFFAOYSA-N
XLogP2.23
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-chloro-4-(1,3-thiazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22621233
N-[4-(2-cyanophenyl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 10692234
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
N-[2-[4-(2-hydroxypropan-2-yl)anilino]ethyl]-1,3-thiazole-2-sulfonamide
CID 159212925
3,3,3-trifluoro-2-hydroxy-2-methyl-N-(4-oxo-10H-thieno[2,3-c][1]benzothiepin-7-yl)propanamide
CID 70201964
(Z)-2-methyl-3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1308409
N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide
CID 131852564
3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide
CID 50877131
methyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate
CID 118061370
N-[2-chloro-4-(1H-imidazol-2-ylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22621279
N-[2-chloro-4-[4-(1,3-dihydroxypropan-2-ylamino)phenyl]sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287435
(2R)-N-[4-(1,3-benzothiazol-2-ylsulfonyl)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 23399162

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide (CID 10547789) is 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide is CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2nccs2)cc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide?
The InChIKey is VLAQPMGYVZZRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O4S2/c1-12(20,13(14,15)16)10(19)18-8-2-4-9(5-3-8)24(21,22)11-17-6-7-23-11/h2-7,20H,1H3,(H,18,19).
What are the key properties of 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide?
3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide has a molecular weight of 380.37 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide is sourced from PubChem (CID 10547789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).