N'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide

C28H21F3N6O3S — CID 18184877

IUPACN'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccc(Nc2nc(-c3ccccc3)n(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C28H21F3N6O3S/c29-28(30,31)21-13-17-23(18-14-21)37-25(19-7-3-1-4-8-19)33-27(35-37)32-22-15-11-20(12-16-22)26(38)34-36-41(39,40)24-9-5-2-6-10-24/h1-18,36H,(H,32,35)(H,34,38)
InChIKeyFXOBAYLVBMAQLY-UHFFFAOYSA-N
MW578.58 g/mol
LogP5.32
Rot. Bonds8

About N'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide

N'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide (PubChem CID 18184877) has the molecular formula C28H21F3N6O3S and a molecular weight of 578.58 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide
PubChem CID18184877
Molecular FormulaC28H21F3N6O3S
Molecular Weight578.58 g/mol
Exact Mass578.13
IUPAC NameN'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1ccc(Nc2nc(-c3ccccc3)n(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C28H21F3N6O3S/c29-28(30,31)21-13-17-23(18-14-21)37-25(19-7-3-1-4-8-19)33-27(35-37)32-22-15-11-20(12-16-22)26(38)34-36-41(39,40)24-9-5-2-6-10-24/h1-18,36H,(H,32,35)(H,34,38)
InChIKeyFXOBAYLVBMAQLY-UHFFFAOYSA-N
XLogP5.32
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.58
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(benzenesulfonyl)-4-[[5-(2-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide
CID 18184850
N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]pyridine-4-carbohydrazide
CID 18184881
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10311292
N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide
CID 18184865
4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid
CID 155949885
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
4-(benzenesulfonamido)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 31147171
N'-(benzenesulfonyl)-4-methoxybenzohydrazide
CID 795528
N'-(benzenesulfonyl)-4-(2-phenylethynyl)benzohydrazide
CID 10172619
4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 8500429
N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 58597511
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide (CID 18184877) is N'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1ccc(Nc2nc(-c3ccccc3)n(-c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of N'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide?
The InChIKey is FXOBAYLVBMAQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N6O3S/c29-28(30,31)21-13-17-23(18-14-21)37-25(19-7-3-1-4-8-19)33-27(35-37)32-22-15-11-20(12-16-22)26(38)34-36-41(39,40)24-9-5-2-6-10-24/h1-18,36H,(H,32,35)(H,34,38).
What are the key properties of N'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide?
N'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide has a molecular weight of 578.58 g/mol, XLogP of 5.32, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-4-[[5-phenyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]benzohydrazide is sourced from PubChem (CID 18184877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).