2-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide

C24H24N4O4S — CID 4988053

IUPAC2-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=C2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C24H24N4O4S/c1-16-10-12-21(17(2)14-16)27-33(31,32)24-15-19(28(29)30)11-13-23(24)26-25-22-9-5-7-18-6-3-4-8-20(18)22/h3-4,6,8,10-15,26-27H,5,7,9H2,1-2H3
InChIKeyWOWRUVBKJRCORP-UHFFFAOYSA-N
MW464.55 g/mol
LogP5.16
Rot. Bonds6

About 2-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide

2-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide (PubChem CID 4988053) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
PubChem CID4988053
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name2-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=C2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C24H24N4O4S/c1-16-10-12-21(17(2)14-16)27-33(31,32)24-15-19(28(29)30)11-13-23(24)26-25-22-9-5-7-18-6-3-4-8-20(18)22/h3-4,6,8,10-15,26-27H,5,7,9H2,1-2H3
InChIKeyWOWRUVBKJRCORP-UHFFFAOYSA-N
XLogP5.16
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.55
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclopentylidenehydrazinyl)-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
CID 7939242
N-(2,4-dimethylphenyl)-2-[(2Z)-2-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)hydrazinyl]-5-nitrobenzenesulfonamide
CID 6153876
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2,4-dinitroaniline
CID 5379027
2-[2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
CID 3349843
N-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3633570
N-(2,4-dimethylphenyl)-5-nitro-2-[(2Z)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]benzenesulfonamide
CID 6006499
4-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
CID 6301213
N-(2,5-dimethylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7573611
4-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 3885583
N-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 3292765
N-(2,4-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2711951
2-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
CID 6303211

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide (CID 4988053) is 2-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=C2CCCc3ccccc32)c(C)c1.
What is the InChIKey of 2-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide?
The InChIKey is WOWRUVBKJRCORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-16-10-12-21(17(2)14-16)27-33(31,32)24-15-19(28(29)30)11-13-23(24)26-25-22-9-5-7-18-6-3-4-8-20(18)22/h3-4,6,8,10-15,26-27H,5,7,9H2,1-2H3.
What are the key properties of 2-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide?
2-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide has a molecular weight of 464.55 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 4988053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).