N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide

C13H10ClF4N3O2S — CID 1476864

IUPACN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide
SMILESCN(NS(=O)(=O)c1ccc(F)cc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H10ClF4N3O2S/c1-21(12-11(14)6-8(7-19-12)13(16,17)18)20-24(22,23)10-4-2-9(15)3-5-10/h2-7,20H,1H3
InChIKeyXKDSPMYCTHPOHS-UHFFFAOYSA-N
MW383.75 g/mol
LogP3.22
Rot. Bonds4

About N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide (PubChem CID 1476864) has the molecular formula C13H10ClF4N3O2S and a molecular weight of 383.75 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide
PubChem CID1476864
Molecular FormulaC13H10ClF4N3O2S
Molecular Weight383.75 g/mol
Exact Mass383.01
IUPAC NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide
SMILESCN(NS(=O)(=O)c1ccc(F)cc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H10ClF4N3O2S/c1-21(12-11(14)6-8(7-19-12)13(16,17)18)20-24(22,23)10-4-2-9(15)3-5-10/h2-7,20H,1H3
InChIKeyXKDSPMYCTHPOHS-UHFFFAOYSA-N
XLogP3.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.75
LogP ≤ 53.22
H-Bond Donors ≤ 51
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-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide?
The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide (CID 1476864) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide.
What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide?
The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide is CN(NS(=O)(=O)c1ccc(F)cc1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide?
The InChIKey is XKDSPMYCTHPOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF4N3O2S/c1-21(12-11(14)6-8(7-19-12)13(16,17)18)20-24(22,23)10-4-2-9(15)3-5-10/h2-7,20H,1H3.
What are the key properties of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide?
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide has a molecular weight of 383.75 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluoro-N'-methylbenzenesulfonohydrazide is sourced from PubChem (CID 1476864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).