2-butyl-N'-(4-fluorophenyl)sulfonyl-2-hydroxy-N'-phenylhexanehydrazide

C22H29FN2O4S — CID 3137829

IUPAC2-butyl-N'-(4-fluorophenyl)sulfonyl-2-hydroxy-N'-phenylhexanehydrazide
SMILESCCCCC(O)(CCCC)C(=O)NN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H29FN2O4S/c1-3-5-16-22(27,17-6-4-2)21(26)24-25(19-10-8-7-9-11-19)30(28,29)20-14-12-18(23)13-15-20/h7-15,27H,3-6,16-17H2,1-2H3,(H,24,26)
InChIKeyJCJGIMILYMVORY-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.16
Rot. Bonds11

About 2-butyl-N'-(4-fluorophenyl)sulfonyl-2-hydroxy-N'-phenylhexanehydrazide

2-butyl-N'-(4-fluorophenyl)sulfonyl-2-hydroxy-N'-phenylhexanehydrazide (PubChem CID 3137829) has the molecular formula C22H29FN2O4S and a molecular weight of 436.55 g/mol. Its IUPAC name is 2-butyl-N'-(4-fluorophenyl)sulfonyl-2-hydroxy-N'-phenylhexanehydrazide.

Molecular Properties

Compound Name2-butyl-N'-(4-fluorophenyl)sulfonyl-2-hydroxy-N'-phenylhexanehydrazide
PubChem CID3137829
Molecular FormulaC22H29FN2O4S
Molecular Weight436.55 g/mol
Exact Mass436.18
IUPAC Name2-butyl-N'-(4-fluorophenyl)sulfonyl-2-hydroxy-N'-phenylhexanehydrazide
SMILESCCCCC(O)(CCCC)C(=O)NN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H29FN2O4S/c1-3-5-16-22(27,17-6-4-2)21(26)24-25(19-10-8-7-9-11-19)30(28,29)20-14-12-18(23)13-15-20/h7-15,27H,3-6,16-17H2,1-2H3,(H,24,26)
InChIKeyJCJGIMILYMVORY-UHFFFAOYSA-N
XLogP4.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.16
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 2-butyl-N'-(4-fluorophenyl)sulfonyl-2-hydroxy-N'-phenylhexanehydrazide?
The IUPAC name of 2-butyl-N'-(4-fluorophenyl)sulfonyl-2-hydroxy-N'-phenylhexanehydrazide (CID 3137829) is 2-butyl-N'-(4-fluorophenyl)sulfonyl-2-hydroxy-N'-phenylhexanehydrazide.
What is the SMILES notation for 2-butyl-N'-(4-fluorophenyl)sulfonyl-2-hydroxy-N'-phenylhexanehydrazide?
The canonical SMILES for 2-butyl-N'-(4-fluorophenyl)sulfonyl-2-hydroxy-N'-phenylhexanehydrazide is CCCCC(O)(CCCC)C(=O)NN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-butyl-N'-(4-fluorophenyl)sulfonyl-2-hydroxy-N'-phenylhexanehydrazide?
The InChIKey is JCJGIMILYMVORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O4S/c1-3-5-16-22(27,17-6-4-2)21(26)24-25(19-10-8-7-9-11-19)30(28,29)20-14-12-18(23)13-15-20/h7-15,27H,3-6,16-17H2,1-2H3,(H,24,26).
What are the key properties of 2-butyl-N'-(4-fluorophenyl)sulfonyl-2-hydroxy-N'-phenylhexanehydrazide?
2-butyl-N'-(4-fluorophenyl)sulfonyl-2-hydroxy-N'-phenylhexanehydrazide has a molecular weight of 436.55 g/mol, XLogP of 4.16, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N'-(4-fluorophenyl)sulfonyl-2-hydroxy-N'-phenylhexanehydrazide is sourced from PubChem (CID 3137829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).