N-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide

C24H19ClN4O6S — CID 5110734

IUPACN-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide
SMILESO=C(COc1ccc2ccccc2c1)NNc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C24H19ClN4O6S/c25-18-6-3-7-19(13-18)28-36(33,34)21-10-11-22(23(14-21)29(31)32)26-27-24(30)15-35-20-9-8-16-4-1-2-5-17(16)12-20/h1-14,26,28H,15H2,(H,27,30)
InChIKeyJEBFNTUCBBQKNP-UHFFFAOYSA-N
MW526.96 g/mol
LogP4.72
Rot. Bonds9

About N-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide

N-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide (PubChem CID 5110734) has the molecular formula C24H19ClN4O6S and a molecular weight of 526.96 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide
PubChem CID5110734
Molecular FormulaC24H19ClN4O6S
Molecular Weight526.96 g/mol
Exact Mass526.07
IUPAC NameN-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide
SMILESO=C(COc1ccc2ccccc2c1)NNc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C24H19ClN4O6S/c25-18-6-3-7-19(13-18)28-36(33,34)21-10-11-22(23(14-21)29(31)32)26-27-24(30)15-35-20-9-8-16-4-1-2-5-17(16)12-20/h1-14,26,28H,15H2,(H,27,30)
InChIKeyJEBFNTUCBBQKNP-UHFFFAOYSA-N
XLogP4.72
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.96
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide 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-[2-[2-[4-[(3-chlorophenyl)sulfamoyl]-2-nitrophenyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 5111910
4-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]hydrazinyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 4830001
2-[4-[(Z)-N-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]-C-methylcarbonimidoyl]phenoxy]-N,N-diethylacetamide
CID 6216499
2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
CID 9164873
4-(2-benzylidenehydrazinyl)-N-(3-chlorophenyl)-3-nitrobenzenesulfonamide
CID 5237290
N-(3-chlorophenyl)-4-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135947861
2-(3-chlorophenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 24638123
N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82813222
N-(3-chlorophenyl)-4-[2-[(2-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 3311148
2-(3-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2788510
4-fluoro-N-[3-(hydroxymethoxy)phenyl]-3-nitrobenzenesulfonamide
CID 70121004
4-[(4-methoxyphenyl)methylamino]-3-nitro-N-phenylbenzenesulfonamide
CID 9282022

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide (CID 5110734) is N-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide is O=C(COc1ccc2ccccc2c1)NNc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-].
What is the InChIKey of N-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide?
The InChIKey is JEBFNTUCBBQKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O6S/c25-18-6-3-7-19(13-18)28-36(33,34)21-10-11-22(23(14-21)29(31)32)26-27-24(30)15-35-20-9-8-16-4-1-2-5-17(16)12-20/h1-14,26,28H,15H2,(H,27,30).
What are the key properties of N-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide?
N-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide has a molecular weight of 526.96 g/mol, XLogP of 4.72, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 5110734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).