4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide

C14H10ClF3N2O3S — CID 8500429

IUPAC4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF3N2O3S/c15-11-6-4-9(5-7-11)13(21)19-20-24(22,23)12-3-1-2-10(8-12)14(16,17)18/h1-8,20H,(H,19,21)
InChIKeyJAQQQFMKNAPBOV-UHFFFAOYSA-N
MW378.76 g/mol
LogP2.98
Rot. Bonds4

About 4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide

4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide (PubChem CID 8500429) has the molecular formula C14H10ClF3N2O3S and a molecular weight of 378.76 g/mol. Its IUPAC name is 4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
PubChem CID8500429
Molecular FormulaC14H10ClF3N2O3S
Molecular Weight378.76 g/mol
Exact Mass378.01
IUPAC Name4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF3N2O3S/c15-11-6-4-9(5-7-11)13(21)19-20-24(22,23)12-3-1-2-10(8-12)14(16,17)18/h1-8,20H,(H,19,21)
InChIKeyJAQQQFMKNAPBOV-UHFFFAOYSA-N
XLogP2.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.76
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide
CID 8616858
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid
CID 155949885
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10311292
3-[[(4-tert-butylbenzoyl)amino]sulfamoyl]benzenesulfonamide
CID 18206920
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
4-[(2-fluorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166788
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
N'-(4-bromo-3-methylphenyl)sulfonyl-4-chlorobenzohydrazide
CID 8500457
2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110077557
1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 23548404
N'-(4-chlorophenyl)sulfonyl-3-methylbenzohydrazide
CID 732337

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide?
The IUPAC name of 4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide (CID 8500429) is 4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide.
What is the SMILES notation for 4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide?
The canonical SMILES for 4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide?
The InChIKey is JAQQQFMKNAPBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O3S/c15-11-6-4-9(5-7-11)13(21)19-20-24(22,23)12-3-1-2-10(8-12)14(16,17)18/h1-8,20H,(H,19,21).
What are the key properties of 4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide?
4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide has a molecular weight of 378.76 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide is sourced from PubChem (CID 8500429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).