1-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine

C16H14F6N2O4S2 — CID 57016492

IUPAC1-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine
SMILESO=S(=O)(c1ccc(CNNCc2cccc(S(=O)(=O)C(F)(F)F)c2)cc1)C(F)(F)F
InChIInChI=1S/C16H14F6N2O4S2/c17-15(18,19)29(25,26)13-6-4-11(5-7-13)9-23-24-10-12-2-1-3-14(8-12)30(27,28)16(20,21)22/h1-8,23-24H,9-10H2
InChIKeyNCXZODAPZISNAJ-UHFFFAOYSA-N
MW476.42 g/mol
LogP3.07
Rot. Bonds7

About 1-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine

1-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine (PubChem CID 57016492) has the molecular formula C16H14F6N2O4S2 and a molecular weight of 476.42 g/mol. Its IUPAC name is 1-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name1-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine
PubChem CID57016492
Molecular FormulaC16H14F6N2O4S2
Molecular Weight476.42 g/mol
Exact Mass476.03
IUPAC Name1-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine
SMILESO=S(=O)(c1ccc(CNNCc2cccc(S(=O)(=O)C(F)(F)F)c2)cc1)C(F)(F)F
InChIInChI=1S/C16H14F6N2O4S2/c17-15(18,19)29(25,26)13-6-4-11(5-7-13)9-23-24-10-12-2-1-3-14(8-12)30(27,28)16(20,21)22/h1-8,23-24H,9-10H2
InChIKeyNCXZODAPZISNAJ-UHFFFAOYSA-N
XLogP3.07
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine?
The IUPAC name of 1-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine (CID 57016492) is 1-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine.
What is the SMILES notation for 1-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine?
The canonical SMILES for 1-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine is O=S(=O)(c1ccc(CNNCc2cccc(S(=O)(=O)C(F)(F)F)c2)cc1)C(F)(F)F.
What is the InChIKey of 1-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine?
The InChIKey is NCXZODAPZISNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F6N2O4S2/c17-15(18,19)29(25,26)13-6-4-11(5-7-13)9-23-24-10-12-2-1-3-14(8-12)30(27,28)16(20,21)22/h1-8,23-24H,9-10H2.
What are the key properties of 1-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine?
1-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine has a molecular weight of 476.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethylsulfonyl)phenyl]methyl]-2-[[4-(trifluoromethylsulfonyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 57016492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).