N'-(4-fluorophenyl)sulfonyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide

C20H25FN2O3S2 — CID 2807212

IUPACN'-(4-fluorophenyl)sulfonyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide
SMILESCc1c(C)c(C)c(CSCC(=O)NNS(=O)(=O)c2ccc(F)cc2)c(C)c1C
InChIInChI=1S/C20H25FN2O3S2/c1-12-13(2)15(4)19(16(5)14(12)3)10-27-11-20(24)22-23-28(25,26)18-8-6-17(21)7-9-18/h6-9,23H,10-11H2,1-5H3,(H,22,24)
InChIKeyVZWJTFPLBSBSKD-UHFFFAOYSA-N
MW424.56 g/mol
LogP3.61
Rot. Bonds7

About N'-(4-fluorophenyl)sulfonyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide

N'-(4-fluorophenyl)sulfonyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide (PubChem CID 2807212) has the molecular formula C20H25FN2O3S2 and a molecular weight of 424.56 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfonyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfonyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide
PubChem CID2807212
Molecular FormulaC20H25FN2O3S2
Molecular Weight424.56 g/mol
Exact Mass424.13
IUPAC NameN'-(4-fluorophenyl)sulfonyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide
SMILESCc1c(C)c(C)c(CSCC(=O)NNS(=O)(=O)c2ccc(F)cc2)c(C)c1C
InChIInChI=1S/C20H25FN2O3S2/c1-12-13(2)15(4)19(16(5)14(12)3)10-27-11-20(24)22-23-28(25,26)18-8-6-17(21)7-9-18/h6-9,23H,10-11H2,1-5H3,(H,22,24)
InChIKeyVZWJTFPLBSBSKD-UHFFFAOYSA-N
XLogP3.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 53.61
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)sulfonyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide?
The IUPAC name of N'-(4-fluorophenyl)sulfonyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide (CID 2807212) is N'-(4-fluorophenyl)sulfonyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfonyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)sulfonyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide is Cc1c(C)c(C)c(CSCC(=O)NNS(=O)(=O)c2ccc(F)cc2)c(C)c1C.
What is the InChIKey of N'-(4-fluorophenyl)sulfonyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide?
The InChIKey is VZWJTFPLBSBSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S2/c1-12-13(2)15(4)19(16(5)14(12)3)10-27-11-20(24)22-23-28(25,26)18-8-6-17(21)7-9-18/h6-9,23H,10-11H2,1-5H3,(H,22,24).
What are the key properties of N'-(4-fluorophenyl)sulfonyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide?
N'-(4-fluorophenyl)sulfonyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide has a molecular weight of 424.56 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)sulfonyl-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetohydrazide is sourced from PubChem (CID 2807212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).