4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide

C15H14F3N3O2S — CID 85329773

IUPAC4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN=C(Cc2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O2S/c16-15(17,18)14(10-11-4-2-1-3-5-11)21-20-12-6-8-13(9-7-12)24(19,22)23/h1-9,20H,10H2,(H2,19,22,23)
InChIKeyPHOCCNPDCYUYHO-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.91
Rot. Bonds5

About 4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide

4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide (PubChem CID 85329773) has the molecular formula C15H14F3N3O2S and a molecular weight of 357.36 g/mol. Its IUPAC name is 4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide
PubChem CID85329773
Molecular FormulaC15H14F3N3O2S
Molecular Weight357.36 g/mol
Exact Mass357.08
IUPAC Name4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN=C(Cc2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O2S/c16-15(17,18)14(10-11-4-2-1-3-5-11)21-20-12-6-8-13(9-7-12)24(19,22)23/h1-9,20H,10H2,(H2,19,22,23)
InChIKeyPHOCCNPDCYUYHO-UHFFFAOYSA-N
XLogP2.91
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3,3,3-trifluoro-2-[(2-phenylacetyl)amino]-2-(4-sulfamoylanilino)propanoate
CID 46499839
4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide
CID 21176411
4-(2-benzylhydrazinyl)benzenesulfonamide
CID 175369596
N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide
CID 23094842
1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468
4-(phenylmethoxyamino)benzenesulfonamide
CID 171384467
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide
CID 6256280
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4850995
potassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid
CID 162013282
2-phenylethyl N-(4-sulfamoylphenyl)carbamate
CID 127525088
1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898098
N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508692

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide (CID 85329773) is 4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide is NS(=O)(=O)c1ccc(NN=C(Cc2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of 4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide?
The InChIKey is PHOCCNPDCYUYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2S/c16-15(17,18)14(10-11-4-2-1-3-5-11)21-20-12-6-8-13(9-7-12)24(19,22)23/h1-9,20H,10H2,(H2,19,22,23).
What are the key properties of 4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide?
4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide has a molecular weight of 357.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 85329773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).