N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide

C17H18ClN3O5S — CID 4795157

IUPACN-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18ClN3O5S/c1-26-15-8-7-12(18)11-14(15)17(23)21-20-16(22)9-10-19-27(24,25)13-5-3-2-4-6-13/h2-8,11,19H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyJONCKICBTOFYQE-UHFFFAOYSA-N
MW411.87 g/mol
LogP1.48
Rot. Bonds7

About N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide

N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide (PubChem CID 4795157) has the molecular formula C17H18ClN3O5S and a molecular weight of 411.87 g/mol. Its IUPAC name is N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
PubChem CID4795157
Molecular FormulaC17H18ClN3O5S
Molecular Weight411.87 g/mol
Exact Mass411.07
IUPAC NameN-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18ClN3O5S/c1-26-15-8-7-12(18)11-14(15)17(23)21-20-16(22)9-10-19-27(24,25)13-5-3-2-4-6-13/h2-8,11,19H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyJONCKICBTOFYQE-UHFFFAOYSA-N
XLogP1.48
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Glibenclamide
CID 3488
5-chloro-2-methoxy-N-(2-(4-sulfamoylphenyl)ethyl)benzamide
CID 85542
Glicondamide
CID 219108
N'-(4-Fluorobenzenesulfonyl)-2-methoxybenzohydrazide
CID 809441
N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]acetamide
CID 2124746
N'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2528605
5-Chloro-2-methoxy-N-(4-(N-methylsulfamoyl)phenethyl)benzamide
CID 117715670
5-{[(2-Chlorobenzyl)amino]sulfonyl}-2-ethoxybenzamide
CID 1508542
N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4793816
5-chloro-2-methoxy-N-[2-[4-(2-phenylethylsulfamoyl)phenyl]ethyl]benzamide
CID 13813280
N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
CID 24979908
5-chloro-N-(4-(N,N-dibutylsulfamoyl)phenethyl)-2-methoxybenzamide
CID 138393069

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide (CID 4795157) is N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide is COc1ccc(Cl)cc1C(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is JONCKICBTOFYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O5S/c1-26-15-8-7-12(18)11-14(15)17(23)21-20-16(22)9-10-19-27(24,25)13-5-3-2-4-6-13/h2-8,11,19H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 411.87 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 4795157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).