N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide

C18H18ClFN2O5S — CID 43005498

IUPACN'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClFN2O5S/c1-12(27-15-6-4-14(20)5-7-15)18(24)22-21-17(23)10-11-28(25,26)16-8-2-13(19)3-9-16/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyYANPIGIOTKEDPF-UHFFFAOYSA-N
MW428.87 g/mol
LogP2.26
Rot. Bonds7

About N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide

N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide (PubChem CID 43005498) has the molecular formula C18H18ClFN2O5S and a molecular weight of 428.87 g/mol. Its IUPAC name is N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide
PubChem CID43005498
Molecular FormulaC18H18ClFN2O5S
Molecular Weight428.87 g/mol
Exact Mass428.06
IUPAC NameN'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClFN2O5S/c1-12(27-15-6-4-14(20)5-7-15)18(24)22-21-17(23)10-11-28(25,26)16-8-2-13(19)3-9-16/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24)
InChIKeyYANPIGIOTKEDPF-UHFFFAOYSA-N
XLogP2.26
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide
CID 4848882
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 40611223
2-(4-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195832
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
N-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298461
N-[2-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 24638338
ethyl 4-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-4-oxobutanoate
CID 9091729
N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298420
N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43004127
(2S)-N'-[3-(4-ethylphenyl)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 9429083
N'-[2-(4-fluorophenoxy)propanoyl]-3,3-dimethylbutanehydrazide
CID 46656768

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The IUPAC name of N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide (CID 43005498) is N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide.
What is the SMILES notation for N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The canonical SMILES for N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide?
The InChIKey is YANPIGIOTKEDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O5S/c1-12(27-15-6-4-14(20)5-7-15)18(24)22-21-17(23)10-11-28(25,26)16-8-2-13(19)3-9-16/h2-9,12H,10-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide?
N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide has a molecular weight of 428.87 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-fluorophenoxy)propanehydrazide is sourced from PubChem (CID 43005498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).