4-(4-methylsulfonylphenoxy)pentanehydrazide

C12H18N2O4S — CID 63569111

IUPAC4-(4-methylsulfonylphenoxy)pentanehydrazide
SMILESCC(CCC(=O)NN)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-9(3-8-12(15)14-13)18-10-4-6-11(7-5-10)19(2,16)17/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyHRIJDNHVYADKFN-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.63
Rot. Bonds6

About 4-(4-methylsulfonylphenoxy)pentanehydrazide

4-(4-methylsulfonylphenoxy)pentanehydrazide (PubChem CID 63569111) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenoxy)pentanehydrazide.

Molecular Properties

Compound Name4-(4-methylsulfonylphenoxy)pentanehydrazide
PubChem CID63569111
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-(4-methylsulfonylphenoxy)pentanehydrazide
SMILESCC(CCC(=O)NN)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-9(3-8-12(15)14-13)18-10-4-6-11(7-5-10)19(2,16)17/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyHRIJDNHVYADKFN-UHFFFAOYSA-N
XLogP0.63
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylsulfanylphenoxy)pentanehydrazide
CID 55246737
4-(4-cyanophenoxy)pentanehydrazide
CID 63574803
4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanehydrazide
CID 55214976
4-(3-fluorophenoxy)pentanehydrazide
CID 63575496
methyl 2-amino-2-methyl-4-(4-methylsulfonylphenoxy)pentanoate
CID 64719798
2-methyl-2-(methylamino)-4-(4-methylsulfonylphenoxy)pentanoic acid
CID 64719577
4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid
CID 67183247
4-pentan-2-yloxybenzohydrazide
CID 57267352
3-(4-methylsulfonylphenyl)sulfanylbutanehydrazide
CID 63591345
4-(2-chlorophenoxy)pentanehydrazide
CID 63574443
tert-butyl 4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylate
CID 67184502
4-methylsulfonylbenzohydrazide
CID 11042107

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenoxy)pentanehydrazide?
The IUPAC name of 4-(4-methylsulfonylphenoxy)pentanehydrazide (CID 63569111) is 4-(4-methylsulfonylphenoxy)pentanehydrazide.
What is the SMILES notation for 4-(4-methylsulfonylphenoxy)pentanehydrazide?
The canonical SMILES for 4-(4-methylsulfonylphenoxy)pentanehydrazide is CC(CCC(=O)NN)Oc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenoxy)pentanehydrazide?
The InChIKey is HRIJDNHVYADKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9(3-8-12(15)14-13)18-10-4-6-11(7-5-10)19(2,16)17/h4-7,9H,3,8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(4-methylsulfonylphenoxy)pentanehydrazide?
4-(4-methylsulfonylphenoxy)pentanehydrazide has a molecular weight of 286.35 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenoxy)pentanehydrazide is sourced from PubChem (CID 63569111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).