N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide

C18H19Cl2N3O4S — CID 24634429

IUPACN-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H19Cl2N3O4S/c1-11-3-4-12(2)16(9-11)28(26,27)21-8-7-17(24)22-23-18(25)14-10-13(19)5-6-15(14)20/h3-6,9-10,21H,7-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyAFOAKZKQFDXXFO-UHFFFAOYSA-N
MW444.34 g/mol
LogP2.74
Rot. Bonds6

About N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide

N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 24634429) has the molecular formula C18H19Cl2N3O4S and a molecular weight of 444.34 g/mol. Its IUPAC name is N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
PubChem CID24634429
Molecular FormulaC18H19Cl2N3O4S
Molecular Weight444.34 g/mol
Exact Mass443.05
IUPAC NameN-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H19Cl2N3O4S/c1-11-3-4-12(2)16(9-11)28(26,27)21-8-7-17(24)22-23-18(25)14-10-13(19)5-6-15(14)20/h3-6,9-10,21H,7-8H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyAFOAKZKQFDXXFO-UHFFFAOYSA-N
XLogP2.74
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.34
LogP ≤ 52.74
H-Bond Donors ≤ 53
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-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 35806370
N-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 7478439
3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43245307
N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
CID 24641233
N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639574
N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 46587654
N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 35021070
N-[3-[2-[2-fluoro-5-(trifluoromethyl)phenyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
CID 166182254
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
3-[(2,5-dimethylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 30482009
2-chloro-N-[3-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-3-oxopropyl]-4-fluorobenzamide
CID 55761571
2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 55408588

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide (CID 24634429) is N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is AFOAKZKQFDXXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O4S/c1-11-3-4-12(2)16(9-11)28(26,27)21-8-7-17(24)22-23-18(25)14-10-13(19)5-6-15(14)20/h3-6,9-10,21H,7-8H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide?
N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 444.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 24634429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).