N-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C10H8Cl2F3NO2S — CID 23439412

IUPACN-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(S)c(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C10H8Cl2F3NO2S/c1-9(18,10(13,14)15)8(17)16-4-2-3-5(19)7(12)6(4)11/h2-3,18-19H,1H3,(H,16,17)
InChIKeyJMNBGKVIIYUIMJ-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.53
Rot. Bonds2

About N-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 23439412) has the molecular formula C10H8Cl2F3NO2S and a molecular weight of 334.15 g/mol. Its IUPAC name is N-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID23439412
Molecular FormulaC10H8Cl2F3NO2S
Molecular Weight334.15 g/mol
Exact Mass332.96
IUPAC NameN-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(S)c(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C10H8Cl2F3NO2S/c1-9(18,10(13,14)15)8(17)16-4-2-3-5(19)7(12)6(4)11/h2-3,18-19H,1H3,(H,16,17)
InChIKeyJMNBGKVIIYUIMJ-UHFFFAOYSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287302
N-[2,3-dichloro-4-(phenylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18546999
N-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18546997
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
N-(2-chloro-4-ethylsulfonyl-3-fluorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 23439452
N-[2,3-dichloro-4-[methyl(phenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18546984
N-[2-chloro-4-(2-hydroxyethyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 174444785
N-[2,3-dichloro-4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18547014
N-[2,3-dichloro-4-(3-hydroxypyrrolidin-1-yl)sulfonylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 18546996
N-[3-chloro-4-(4-fluorophenyl)sulfanyl-2-methylphenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 23439381
[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl] thiocyanate
CID 22287402
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287259

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 23439412) is N-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CC(O)(C(=O)Nc1ccc(S)c(Cl)c1Cl)C(F)(F)F.
What is the InChIKey of N-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is JMNBGKVIIYUIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F3NO2S/c1-9(18,10(13,14)15)8(17)16-4-2-3-5(19)7(12)6(4)11/h2-3,18-19H,1H3,(H,16,17).
What are the key properties of N-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 334.15 g/mol, XLogP of 3.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloro-4-sulfanylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 23439412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).