5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide

C11H10Cl2F3N5O2S — CID 1476252

IUPAC5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10Cl2F3N5O2S/c1-5-8(9(13)21(2)19-5)24(22,23)20-18-10-7(12)3-6(4-17-10)11(14,15)16/h3-4,20H,1-2H3,(H,17,18)
InChIKeyARHULQQBFBNNDJ-UHFFFAOYSA-N
MW404.20 g/mol
LogP2.75
Rot. Bonds4

About 5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide

5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide (PubChem CID 1476252) has the molecular formula C11H10Cl2F3N5O2S and a molecular weight of 404.20 g/mol. Its IUPAC name is 5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide
PubChem CID1476252
Molecular FormulaC11H10Cl2F3N5O2S
Molecular Weight404.20 g/mol
Exact Mass402.99
IUPAC Name5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10Cl2F3N5O2S/c1-5-8(9(13)21(2)19-5)24(22,23)20-18-10-7(12)3-6(4-17-10)11(14,15)16/h3-4,20H,1-2H3,(H,17,18)
InChIKeyARHULQQBFBNNDJ-UHFFFAOYSA-N
XLogP2.75
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.20
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide?
The IUPAC name of 5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide (CID 1476252) is 5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide.
What is the SMILES notation for 5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide?
The canonical SMILES for 5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide is Cc1nn(C)c(Cl)c1S(=O)(=O)NNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide?
The InChIKey is ARHULQQBFBNNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F3N5O2S/c1-5-8(9(13)21(2)19-5)24(22,23)20-18-10-7(12)3-6(4-17-10)11(14,15)16/h3-4,20H,1-2H3,(H,17,18).
What are the key properties of 5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide?
5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide has a molecular weight of 404.20 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-sulfonohydrazide is sourced from PubChem (CID 1476252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).