2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide

C17H19Cl2N3O4S — CID 50894459

IUPAC2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide
SMILESCCCOc1ccc(N(CC(=O)NN)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H19Cl2N3O4S/c1-2-9-26-14-6-4-13(5-7-14)22(11-17(23)21-20)27(24,25)16-10-12(18)3-8-15(16)19/h3-8,10H,2,9,11,20H2,1H3,(H,21,23)
InChIKeyHJQKIYSOEZUBCU-UHFFFAOYSA-N
MW432.33 g/mol
LogP2.97
Rot. Bonds8

About 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide

2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide (PubChem CID 50894459) has the molecular formula C17H19Cl2N3O4S and a molecular weight of 432.33 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide
PubChem CID50894459
Molecular FormulaC17H19Cl2N3O4S
Molecular Weight432.33 g/mol
Exact Mass431.05
IUPAC Name2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide
SMILESCCCOc1ccc(N(CC(=O)NN)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H19Cl2N3O4S/c1-2-9-26-14-6-4-13(5-7-14)22(11-17(23)21-20)27(24,25)16-10-12(18)3-8-15(16)19/h3-8,10H,2,9,11,20H2,1H3,(H,21,23)
InChIKeyHJQKIYSOEZUBCU-UHFFFAOYSA-N
XLogP2.97
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 50889602
N-(3-chloro-4-fluorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30267320
ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895540
N-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide
CID 50895813
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(2,5-dichlorophenyl)acetamide
CID 21371868
propan-2-yl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
CID 50890211
ethyl 2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-4-methylanilino)acetate
CID 100508031
2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride
CID 50895573
2-(N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50889600
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 50893773
N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
CID 50892714
N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30270464

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide (CID 50894459) is 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide is CCCOc1ccc(N(CC(=O)NN)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide?
The InChIKey is HJQKIYSOEZUBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O4S/c1-2-9-26-14-6-4-13(5-7-14)22(11-17(23)21-20)27(24,25)16-10-12(18)3-8-15(16)19/h3-8,10H,2,9,11,20H2,1H3,(H,21,23).
What are the key properties of 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide?
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide has a molecular weight of 432.33 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 50894459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).