4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

C19H21Cl2N3O5S — CID 24538199

IUPAC4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O5S/c20-14-6-9-17(16(21)12-14)29-11-1-2-18(25)23-24-19(26)10-5-13-3-7-15(8-4-13)30(22,27)28/h3-4,6-9,12H,1-2,5,10-11H2,(H,23,25)(H,24,26)(H2,22,27,28)
InChIKeyOLIFPLXQDOHEBD-UHFFFAOYSA-N
MW474.37 g/mol
LogP2.58
Rot. Bonds9

About 4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (PubChem CID 24538199) has the molecular formula C19H21Cl2N3O5S and a molecular weight of 474.37 g/mol. Its IUPAC name is 4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
PubChem CID24538199
Molecular FormulaC19H21Cl2N3O5S
Molecular Weight474.37 g/mol
Exact Mass473.06
IUPAC Name4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O5S/c20-14-6-9-17(16(21)12-14)29-11-1-2-18(25)23-24-19(26)10-5-13-3-7-15(8-4-13)30(22,27)28/h3-4,6-9,12H,1-2,5,10-11H2,(H,23,25)(H,24,26)(H2,22,27,28)
InChIKeyOLIFPLXQDOHEBD-UHFFFAOYSA-N
XLogP2.58
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 18074478
2-phenylethyl 4-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoate
CID 4946981
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 5229244
4-[amino-[4-(2,4-dichlorophenoxy)butanoyl]amino]benzenesulfonamide
CID 67572284
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 17096549
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2627423
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
CID 3270892
4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
CID 52540404

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (CID 24538199) is 4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is OLIFPLXQDOHEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O5S/c20-14-6-9-17(16(21)12-14)29-11-1-2-18(25)23-24-19(26)10-5-13-3-7-15(8-4-13)30(22,27)28/h3-4,6-9,12H,1-2,5,10-11H2,(H,23,25)(H,24,26)(H2,22,27,28).
What are the key properties of 4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 474.37 g/mol, XLogP of 2.58, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 24538199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).