N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide

C12H9F3N2O3S2 — CID 8617155

IUPACN'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C12H9F3N2O3S2/c13-12(14,15)8-3-5-9(6-4-8)22(19,20)17-16-11(18)10-2-1-7-21-10/h1-7,17H,(H,16,18)
InChIKeyIDRDVUYGKCXHIP-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.39
Rot. Bonds4

About N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide

N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide (PubChem CID 8617155) has the molecular formula C12H9F3N2O3S2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide
PubChem CID8617155
Molecular FormulaC12H9F3N2O3S2
Molecular Weight350.34 g/mol
Exact Mass350.00
IUPAC NameN'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C12H9F3N2O3S2/c13-12(14,15)8-3-5-9(6-4-8)22(19,20)17-16-11(18)10-2-1-7-21-10/h1-7,17H,(H,16,18)
InChIKeyIDRDVUYGKCXHIP-UHFFFAOYSA-N
XLogP2.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide
CID 8617039
4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid
CID 155949885
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide
CID 8617065
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10311292
N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 7979324
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethyl)benzoate
CID 4559758
N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 2811204
3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 26969476
N-hydroxy-4-(trifluoromethyl)benzenesulfonamide
CID 24748525
2-(4-methyl-1,3-thiazol-2-yl)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
CID 8844304
N'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide
CID 8617069
4-(trifluoromethyl)-N'-[4-(trifluoromethyl)phenyl]benzenesulfonohydrazide
CID 20705865

Frequently Asked Questions

What is the IUPAC name of N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide?
The IUPAC name of N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide (CID 8617155) is N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide?
The canonical SMILES for N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide is O=C(NNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccs1.
What is the InChIKey of N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide?
The InChIKey is IDRDVUYGKCXHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3S2/c13-12(14,15)8-3-5-9(6-4-8)22(19,20)17-16-11(18)10-2-1-7-21-10/h1-7,17H,(H,16,18).
What are the key properties of N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide?
N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide has a molecular weight of 350.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide is sourced from PubChem (CID 8617155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).