N'-(3-chlorophenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide

C11H10ClF3N4O2S — CID 169101206

IUPACN'-(3-chlorophenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide
SMILESCc1[nH]nc(C(F)(F)F)c1S(=O)(=O)NNc1cccc(Cl)c1
InChIInChI=1S/C11H10ClF3N4O2S/c1-6-9(10(18-16-6)11(13,14)15)22(20,21)19-17-8-4-2-3-7(12)5-8/h2-5,17,19H,1H3,(H,16,18)
InChIKeyBWHIGYUAOPDSBT-UHFFFAOYSA-N
MW354.74 g/mol
LogP2.70
Rot. Bonds4

About N'-(3-chlorophenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide

N'-(3-chlorophenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide (PubChem CID 169101206) has the molecular formula C11H10ClF3N4O2S and a molecular weight of 354.74 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide
PubChem CID169101206
Molecular FormulaC11H10ClF3N4O2S
Molecular Weight354.74 g/mol
Exact Mass354.02
IUPAC NameN'-(3-chlorophenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide
SMILESCc1[nH]nc(C(F)(F)F)c1S(=O)(=O)NNc1cccc(Cl)c1
InChIInChI=1S/C11H10ClF3N4O2S/c1-6-9(10(18-16-6)11(13,14)15)22(20,21)19-17-8-4-2-3-7(12)5-8/h2-5,17,19H,1H3,(H,16,18)
InChIKeyBWHIGYUAOPDSBT-UHFFFAOYSA-N
XLogP2.70
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.74
LogP ≤ 52.70
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'-(3-chlorophenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide?
The IUPAC name of N'-(3-chlorophenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide (CID 169101206) is N'-(3-chlorophenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide.
What is the SMILES notation for N'-(3-chlorophenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide?
The canonical SMILES for N'-(3-chlorophenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide is Cc1[nH]nc(C(F)(F)F)c1S(=O)(=O)NNc1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide?
The InChIKey is BWHIGYUAOPDSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O2S/c1-6-9(10(18-16-6)11(13,14)15)22(20,21)19-17-8-4-2-3-7(12)5-8/h2-5,17,19H,1H3,(H,16,18).
What are the key properties of N'-(3-chlorophenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide?
N'-(3-chlorophenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide has a molecular weight of 354.74 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonohydrazide is sourced from PubChem (CID 169101206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).