N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide

C15H15FN2O4S — CID 8505734

IUPACN'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
SMILESCc1cccc(OCC(=O)NNS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H15FN2O4S/c1-11-4-2-6-13(8-11)22-10-15(19)17-18-23(20,21)14-7-3-5-12(16)9-14/h2-9,18H,10H2,1H3,(H,17,19)
InChIKeyXZCDCVXLCPZKBQ-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.52
Rot. Bonds6

About N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide

N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide (PubChem CID 8505734) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
PubChem CID8505734
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC NameN'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
SMILESCc1cccc(OCC(=O)NNS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H15FN2O4S/c1-11-4-2-6-13(8-11)22-10-15(19)17-18-23(20,21)14-7-3-5-12(16)9-14/h2-9,18H,10H2,1H3,(H,17,19)
InChIKeyXZCDCVXLCPZKBQ-UHFFFAOYSA-N
XLogP1.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.52
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
2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8614158
N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
CID 8506063
N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
CID 9236694
2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8506094
N-[2-methoxy-4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
CID 8505793
N'-(2,5-dichlorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505751
N'-(5-bromothiophen-2-yl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505825
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate
CID 39340829
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide
CID 1034415

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide?
The IUPAC name of N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide (CID 8505734) is N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide.
What is the SMILES notation for N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide?
The canonical SMILES for N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide is Cc1cccc(OCC(=O)NNS(=O)(=O)c2cccc(F)c2)c1.
What is the InChIKey of N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide?
The InChIKey is XZCDCVXLCPZKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-11-4-2-6-13(8-11)22-10-15(19)17-18-23(20,21)14-7-3-5-12(16)9-14/h2-9,18H,10H2,1H3,(H,17,19).
What are the key properties of N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide?
N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide has a molecular weight of 338.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide is sourced from PubChem (CID 8505734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).