N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylsulfanyl-2-oxopropanehydrazide

C11H9Cl2F3N2O2S — CID 67854010

IUPACN-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylsulfanyl-2-oxopropanehydrazide
SMILESCSCC(=O)C(=O)N(N)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H9Cl2F3N2O2S/c1-21-4-8(19)10(20)18(17)9-6(12)2-5(3-7(9)13)11(14,15)16/h2-3H,4,17H2,1H3
InChIKeyNXDQUYQYXPIDKT-UHFFFAOYSA-N
MW361.17 g/mol
LogP3.15
Rot. Bonds4

About N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylsulfanyl-2-oxopropanehydrazide

N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylsulfanyl-2-oxopropanehydrazide (PubChem CID 67854010) has the molecular formula C11H9Cl2F3N2O2S and a molecular weight of 361.17 g/mol. Its IUPAC name is N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylsulfanyl-2-oxopropanehydrazide.

Molecular Properties

Compound NameN-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylsulfanyl-2-oxopropanehydrazide
PubChem CID67854010
Molecular FormulaC11H9Cl2F3N2O2S
Molecular Weight361.17 g/mol
Exact Mass359.97
IUPAC NameN-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylsulfanyl-2-oxopropanehydrazide
SMILESCSCC(=O)C(=O)N(N)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H9Cl2F3N2O2S/c1-21-4-8(19)10(20)18(17)9-6(12)2-5(3-7(9)13)11(14,15)16/h2-3H,4,17H2,1H3
InChIKeyNXDQUYQYXPIDKT-UHFFFAOYSA-N
XLogP3.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.17
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylsulfanyl-2-oxopropanehydrazide?
The IUPAC name of N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylsulfanyl-2-oxopropanehydrazide (CID 67854010) is N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylsulfanyl-2-oxopropanehydrazide.
What is the SMILES notation for N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylsulfanyl-2-oxopropanehydrazide?
The canonical SMILES for N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylsulfanyl-2-oxopropanehydrazide is CSCC(=O)C(=O)N(N)c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylsulfanyl-2-oxopropanehydrazide?
The InChIKey is NXDQUYQYXPIDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F3N2O2S/c1-21-4-8(19)10(20)18(17)9-6(12)2-5(3-7(9)13)11(14,15)16/h2-3H,4,17H2,1H3.
What are the key properties of N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylsulfanyl-2-oxopropanehydrazide?
N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylsulfanyl-2-oxopropanehydrazide has a molecular weight of 361.17 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylsulfanyl-2-oxopropanehydrazide is sourced from PubChem (CID 67854010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).