4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide

C17H14Cl3F3N6O2S — CID 87190669

IUPAC4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide
SMILESCC(C)n1c(Cl)nnc1-c1ncc(Cl)cc1NNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H14Cl3F3N6O2S/c1-8(2)29-15(26-27-16(29)20)14-13(5-9(18)7-24-14)25-28-32(30,31)10-3-4-12(19)11(6-10)17(21,22)23/h3-8,25,28H,1-2H3
InChIKeyJIDZAYRWJMPOSL-UHFFFAOYSA-N
MW529.76 g/mol
LogP5.21
Rot. Bonds6

About 4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide

4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide (PubChem CID 87190669) has the molecular formula C17H14Cl3F3N6O2S and a molecular weight of 529.76 g/mol. Its IUPAC name is 4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide
PubChem CID87190669
Molecular FormulaC17H14Cl3F3N6O2S
Molecular Weight529.76 g/mol
Exact Mass527.99
IUPAC Name4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide
SMILESCC(C)n1c(Cl)nnc1-c1ncc(Cl)cc1NNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H14Cl3F3N6O2S/c1-8(2)29-15(26-27-16(29)20)14-13(5-9(18)7-24-14)25-28-32(30,31)10-3-4-12(19)11(6-10)17(21,22)23/h3-8,25,28H,1-2H3
InChIKeyJIDZAYRWJMPOSL-UHFFFAOYSA-N
XLogP5.21
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.76
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide with MolForge

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Related Compounds

4-chloro-N-[5-chloro-2-[5-[(dimethylamino)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;dimethyl(methylidene)azanium
CID 159443290
N-[2-(5-bromo-4-propan-2-yl-1,2,4-triazol-3-yl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfinamide
CID 143610152
4-chloro-N-[5-chloro-2-[4-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24803453
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108
4-tert-butyl-N-[5-chloro-2-[5-(2-hydroxypropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]-3-pyridinyl]benzenesulfonamide
CID 24804444
5-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5-methyl-2-pyridinyl]-4-phenyl-1,2,4-triazole-3-carboxamide
CID 24804929
3-[3-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]-1,2,4-triazol-4-yl]-4-methoxypyrrolidine-1-carboxylic acid
CID 143610134
4-chloro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 17452020
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
4-chloro-N-[5-chloro-2-(pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11591022
5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(propan-2-ylamino)-1H-pyridin-2-yl]pyridine-2-carboxamide
CID 87089867
methyl N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]carbamate
CID 8501015

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide?
The IUPAC name of 4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide (CID 87190669) is 4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide.
What is the SMILES notation for 4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide?
The canonical SMILES for 4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide is CC(C)n1c(Cl)nnc1-c1ncc(Cl)cc1NNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide?
The InChIKey is JIDZAYRWJMPOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3F3N6O2S/c1-8(2)29-15(26-27-16(29)20)14-13(5-9(18)7-24-14)25-28-32(30,31)10-3-4-12(19)11(6-10)17(21,22)23/h3-8,25,28H,1-2H3.
What are the key properties of 4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide?
4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide has a molecular weight of 529.76 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[5-chloro-2-(5-chloro-4-propan-2-yl-1,2,4-triazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonohydrazide is sourced from PubChem (CID 87190669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).