N'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide

C10H8ClF3N4O2S — CID 169101240

IUPACN'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide
SMILESO=S(=O)(NNc1ccccc1Cl)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C10H8ClF3N4O2S/c11-6-3-1-2-4-7(6)16-18-21(19,20)8-5-15-17-9(8)10(12,13)14/h1-5,16,18H,(H,15,17)
InChIKeyVMTNVJNRTDVPOR-UHFFFAOYSA-N
MW340.71 g/mol
LogP2.39
Rot. Bonds4

About N'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide

N'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide (PubChem CID 169101240) has the molecular formula C10H8ClF3N4O2S and a molecular weight of 340.71 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide
PubChem CID169101240
Molecular FormulaC10H8ClF3N4O2S
Molecular Weight340.71 g/mol
Exact Mass340.00
IUPAC NameN'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide
SMILESO=S(=O)(NNc1ccccc1Cl)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C10H8ClF3N4O2S/c11-6-3-1-2-4-7(6)16-18-21(19,20)8-5-15-17-9(8)10(12,13)14/h1-5,16,18H,(H,15,17)
InChIKeyVMTNVJNRTDVPOR-UHFFFAOYSA-N
XLogP2.39
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.71
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide?
The IUPAC name of N'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide (CID 169101240) is N'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide.
What is the SMILES notation for N'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide?
The canonical SMILES for N'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide is O=S(=O)(NNc1ccccc1Cl)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of N'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide?
The InChIKey is VMTNVJNRTDVPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4O2S/c11-6-3-1-2-4-7(6)16-18-21(19,20)8-5-15-17-9(8)10(12,13)14/h1-5,16,18H,(H,15,17).
What are the key properties of N'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide?
N'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide has a molecular weight of 340.71 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide is sourced from PubChem (CID 169101240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).