N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

C17H18FN3O5S — CID 4789550

IUPACN-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)COc1ccccc1F
InChIInChI=1S/C17H18FN3O5S/c18-14-8-4-5-9-15(14)26-12-17(23)21-20-16(22)10-11-19-27(24,25)13-6-2-1-3-7-13/h1-9,19H,10-12H2,(H,20,22)(H,21,23)
InChIKeyNAUALNWPRVGAFA-UHFFFAOYSA-N
MW395.41 g/mol
LogP0.72
Rot. Bonds8

About N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (PubChem CID 4789550) has the molecular formula C17H18FN3O5S and a molecular weight of 395.41 g/mol. Its IUPAC name is N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
PubChem CID4789550
Molecular FormulaC17H18FN3O5S
Molecular Weight395.41 g/mol
Exact Mass395.10
IUPAC NameN-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)COc1ccccc1F
InChIInChI=1S/C17H18FN3O5S/c18-14-8-4-5-9-15(14)26-12-17(23)21-20-16(22)10-11-19-27(24,25)13-6-2-1-3-7-13/h1-9,19H,10-12H2,(H,20,22)(H,21,23)
InChIKeyNAUALNWPRVGAFA-UHFFFAOYSA-N
XLogP0.72
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (CID 4789550) is N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)COc1ccccc1F.
What is the InChIKey of N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is NAUALNWPRVGAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O5S/c18-14-8-4-5-9-15(14)26-12-17(23)21-20-16(22)10-11-19-27(24,25)13-6-2-1-3-7-13/h1-9,19H,10-12H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 395.41 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 4789550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).