2,4-dichloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide

C13H10Cl2F3N3O2S — CID 2805713

IUPAC2,4-dichloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
SMILESCc1cc(C(F)(F)F)cc(NNS(=O)(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H10Cl2F3N3O2S/c1-7-4-8(13(16,17)18)5-12(19-7)20-21-24(22,23)11-3-2-9(14)6-10(11)15/h2-6,21H,1H3,(H,19,20)
InChIKeyDVRUQUIGMXZAQU-UHFFFAOYSA-N
MW400.21 g/mol
LogP4.02
Rot. Bonds4

About 2,4-dichloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide

2,4-dichloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide (PubChem CID 2805713) has the molecular formula C13H10Cl2F3N3O2S and a molecular weight of 400.21 g/mol. Its IUPAC name is 2,4-dichloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide.

Molecular Properties

Compound Name2,4-dichloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
PubChem CID2805713
Molecular FormulaC13H10Cl2F3N3O2S
Molecular Weight400.21 g/mol
Exact Mass398.98
IUPAC Name2,4-dichloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
SMILESCc1cc(C(F)(F)F)cc(NNS(=O)(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H10Cl2F3N3O2S/c1-7-4-8(13(16,17)18)5-12(19-7)20-21-24(22,23)11-3-2-9(14)6-10(11)15/h2-6,21H,1H3,(H,19,20)
InChIKeyDVRUQUIGMXZAQU-UHFFFAOYSA-N
XLogP4.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.21
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 2805711
2,4-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3332822
2,4-dichloro-N-hydroxybenzenesulfonamide
CID 83542895
3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 118216736
2,4-dichloro-N-[3,5-dichloro-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phenyl]benzenesulfonamide
CID 22148897
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylbenzenesulfonohydrazide
CID 8523482
N-[4-[amino-(4,6-dimethylpyrimidin-2-yl)methyl]phenyl]-2,4-dichlorobenzenesulfonamide
CID 69225495
2,4-dichloro-N-[(3-chloro-2,6-difluorophenyl)methyl]benzenesulfonamide
CID 3710216
2,4-dichloro-N-(2-oxoethyl)benzenesulfonamide
CID 143489858
4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide
CID 43476927
2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea
CID 2781467

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The IUPAC name of 2,4-dichloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide (CID 2805713) is 2,4-dichloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide.
What is the SMILES notation for 2,4-dichloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The canonical SMILES for 2,4-dichloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide is Cc1cc(C(F)(F)F)cc(NNS(=O)(=O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2,4-dichloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
The InChIKey is DVRUQUIGMXZAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O2S/c1-7-4-8(13(16,17)18)5-12(19-7)20-21-24(22,23)11-3-2-9(14)6-10(11)15/h2-6,21H,1H3,(H,19,20).
What are the key properties of 2,4-dichloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide?
2,4-dichloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide has a molecular weight of 400.21 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide is sourced from PubChem (CID 2805713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).