4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide

C20H24ClN3O4S — CID 35020823

IUPAC4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClN3O4S/c1-3-24(4-2)29(27,28)18-12-5-15(6-13-18)7-14-19(25)22-23-20(26)16-8-10-17(21)11-9-16/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDXWGVOQYQPMAMU-UHFFFAOYSA-N
MW437.95 g/mol
LogP2.76
Rot. Bonds8

About 4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide

4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide (PubChem CID 35020823) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is 4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide
PubChem CID35020823
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClN3O4S/c1-3-24(4-2)29(27,28)18-12-5-15(6-13-18)7-14-19(25)22-23-20(26)16-8-10-17(21)11-9-16/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDXWGVOQYQPMAMU-UHFFFAOYSA-N
XLogP2.76
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 52.76
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

N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894
N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 26861330
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
N,N-diethyl-4-[3-oxo-3-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)hydrazinyl]propyl]benzenesulfonamide
CID 31846372
N'-(4-chlorobenzoyl)-4-propylbenzohydrazide
CID 765467
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1296028
3-[4-(diethylsulfamoyl)phenyl]-N-(2-methylbutan-2-yl)propanamide
CID 51211052
5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide
CID 26657357
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 31337257
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide (CID 35020823) is 4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide?
The InChIKey is DXWGVOQYQPMAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-3-24(4-2)29(27,28)18-12-5-15(6-13-18)7-14-19(25)22-23-20(26)16-8-10-17(21)11-9-16/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide?
4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide has a molecular weight of 437.95 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 35020823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).