N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide

C17H18ClFN2O5S — CID 55353346

IUPACN'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNS(=O)(=O)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C17H18ClFN2O5S/c1-3-25-13-5-7-14(8-6-13)26-11(2)17(22)20-21-27(23,24)16-9-4-12(18)10-15(16)19/h4-11,21H,3H2,1-2H3,(H,20,22)
InChIKeyBYEAPTDRRKSASD-UHFFFAOYSA-N
MW416.86 g/mol
LogP2.65
Rot. Bonds8

About N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide

N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide (PubChem CID 55353346) has the molecular formula C17H18ClFN2O5S and a molecular weight of 416.86 g/mol. Its IUPAC name is N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide
PubChem CID55353346
Molecular FormulaC17H18ClFN2O5S
Molecular Weight416.86 g/mol
Exact Mass416.06
IUPAC NameN'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNS(=O)(=O)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C17H18ClFN2O5S/c1-3-25-13-5-7-14(8-6-13)26-11(2)17(22)20-21-27(23,24)16-9-4-12(18)10-15(16)19/h4-11,21H,3H2,1-2H3,(H,20,22)
InChIKeyBYEAPTDRRKSASD-UHFFFAOYSA-N
XLogP2.65
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 52.65
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

5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9088683
2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide
CID 55353301
(2R)-2-(4-cyanophenoxy)-N'-(2,5-difluorophenyl)sulfonylpropanehydrazide
CID 9238081
(2S)-N'-[2-(3-chlorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343185
5-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-N,N-diethyl-2-fluorobenzenesulfonamide
CID 55343944
N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 8614364
1-(3-chloro-4-fluorophenyl)-3-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]thiourea
CID 8768139
N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 26952142
N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267118
2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide
CID 43000685
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
(2R)-N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-ethoxyphenoxy)propanehydrazide
CID 9428468

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide?
The IUPAC name of N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide (CID 55353346) is N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide.
What is the SMILES notation for N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide?
The canonical SMILES for N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide is CCOc1ccc(OC(C)C(=O)NNS(=O)(=O)c2ccc(Cl)cc2F)cc1.
What is the InChIKey of N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide?
The InChIKey is BYEAPTDRRKSASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O5S/c1-3-25-13-5-7-14(8-6-13)26-11(2)17(22)20-21-27(23,24)16-9-4-12(18)10-15(16)19/h4-11,21H,3H2,1-2H3,(H,20,22).
What are the key properties of N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide?
N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide has a molecular weight of 416.86 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide is sourced from PubChem (CID 55353346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).