N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonohydrazide

C8H9ClF3N3O4S2 — CID 2741349

IUPACN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonohydrazide
SMILESCS(=O)(=O)CS(=O)(=O)NNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H9ClF3N3O4S2/c1-20(16,17)4-21(18,19)15-14-7-6(9)2-5(3-13-7)8(10,11)12/h2-3,15H,4H2,1H3,(H,13,14)
InChIKeyLDVDLOGFEWDJDZ-UHFFFAOYSA-N
MW367.76 g/mol
LogP1.00
Rot. Bonds5

About N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonohydrazide

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonohydrazide (PubChem CID 2741349) has the molecular formula C8H9ClF3N3O4S2 and a molecular weight of 367.76 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonohydrazide.

Molecular Properties

Compound NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonohydrazide
PubChem CID2741349
Molecular FormulaC8H9ClF3N3O4S2
Molecular Weight367.76 g/mol
Exact Mass366.97
IUPAC NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonohydrazide
SMILESCS(=O)(=O)CS(=O)(=O)NNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H9ClF3N3O4S2/c1-20(16,17)4-21(18,19)15-14-7-6(9)2-5(3-13-7)8(10,11)12/h2-3,15H,4H2,1H3,(H,13,14)
InChIKeyLDVDLOGFEWDJDZ-UHFFFAOYSA-N
XLogP1.00
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 51.00
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 N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonohydrazide?
The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonohydrazide (CID 2741349) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonohydrazide.
What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonohydrazide?
The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonohydrazide is CS(=O)(=O)CS(=O)(=O)NNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonohydrazide?
The InChIKey is LDVDLOGFEWDJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O4S2/c1-20(16,17)4-21(18,19)15-14-7-6(9)2-5(3-13-7)8(10,11)12/h2-3,15H,4H2,1H3,(H,13,14).
What are the key properties of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonohydrazide?
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonohydrazide has a molecular weight of 367.76 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonohydrazide is sourced from PubChem (CID 2741349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).