N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide

C16H17FN2O4S — CID 9236694

IUPACN'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
SMILESCCc1ccc(S(=O)(=O)NNC(=O)COc2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O4S/c1-2-12-6-8-15(9-7-12)24(21,22)19-18-16(20)11-23-14-5-3-4-13(17)10-14/h3-10,19H,2,11H2,1H3,(H,18,20)
InChIKeyOSMPRUASHNVDMI-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.78
Rot. Bonds7

About N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide

N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide (PubChem CID 9236694) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
PubChem CID9236694
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC NameN'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
SMILESCCc1ccc(S(=O)(=O)NNC(=O)COc2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O4S/c1-2-12-6-8-15(9-7-12)24(21,22)19-18-16(20)11-23-14-5-3-4-13(17)10-14/h3-10,19H,2,11H2,1H3,(H,18,20)
InChIKeyOSMPRUASHNVDMI-UHFFFAOYSA-N
XLogP1.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.78
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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Related Compounds

2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8505982
N'-(3,4-difluorophenyl)sulfonyl-2-(4-ethylphenoxy)acetohydrazide
CID 8614849
2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8506094
N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
CID 8506063
N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505734
2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 3374893
2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide
CID 8614803
N'-[2-(3-fluorophenoxy)acetyl]-2-(4-methoxyphenyl)acetohydrazide
CID 2670452
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897
N,N-diethyl-3-[[[2-(3-fluorophenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 2709558
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide?
The IUPAC name of N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide (CID 9236694) is N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide.
What is the SMILES notation for N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide?
The canonical SMILES for N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide is CCc1ccc(S(=O)(=O)NNC(=O)COc2cccc(F)c2)cc1.
What is the InChIKey of N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide?
The InChIKey is OSMPRUASHNVDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-2-12-6-8-15(9-7-12)24(21,22)19-18-16(20)11-23-14-5-3-4-13(17)10-14/h3-10,19H,2,11H2,1H3,(H,18,20).
What are the key properties of N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide?
N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide has a molecular weight of 352.39 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide is sourced from PubChem (CID 9236694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).