N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide

C16H15Cl2N3O5S — CID 18158719

IUPACN-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H15Cl2N3O5S/c1-26-11-3-5-12(6-4-11)27(24,25)19-9-15(22)20-21-16(23)13-8-10(17)2-7-14(13)18/h2-8,19H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyDKUPQSPSTYSXJM-UHFFFAOYSA-N
MW432.29 g/mol
LogP1.74
Rot. Bonds6

About N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide

N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide (PubChem CID 18158719) has the molecular formula C16H15Cl2N3O5S and a molecular weight of 432.29 g/mol. Its IUPAC name is N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
PubChem CID18158719
Molecular FormulaC16H15Cl2N3O5S
Molecular Weight432.29 g/mol
Exact Mass431.01
IUPAC NameN-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H15Cl2N3O5S/c1-26-11-3-5-12(6-4-11)27(24,25)19-9-15(22)20-21-16(23)13-8-10(17)2-7-14(13)18/h2-8,19H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyDKUPQSPSTYSXJM-UHFFFAOYSA-N
XLogP1.74
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.29
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide 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

N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24643135
N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 24636720
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 9339566
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998755
4-ethoxy-N-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 9492767
N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 18159466
4-methoxy-N-[2-oxo-2-[2-(4-oxo-3H-phthalazine-1-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
CID 18164851
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 9412029
4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 24634435
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
N-[(4-methoxyphenyl)methyl]-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992797
N-[2-[2-[1-(4-methoxyphenyl)ethenyl]hydrazinyl]-2-oxoethyl]-4-nitrobenzenesulfonamide
CID 6997955

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide (CID 18158719) is N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide?
The InChIKey is DKUPQSPSTYSXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O5S/c1-26-11-3-5-12(6-4-11)27(24,25)19-9-15(22)20-21-16(23)13-8-10(17)2-7-14(13)18/h2-8,19H,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide?
N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide has a molecular weight of 432.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 18158719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).