N-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide

C26H24N4O5S — CID 3292765

IUPACN-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
SMILESCC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C)c1ccc2ccccc2c1O
InChIInChI=1S/C26H24N4O5S/c1-16-8-12-23(17(2)14-16)29-36(34,35)25-15-20(30(32)33)10-13-24(25)28-27-18(3)21-11-9-19-6-4-5-7-22(19)26(21)31/h4-15,28-29,31H,1-3H3
InChIKeyOJJDTBZPAMUGCV-UHFFFAOYSA-N
MW504.57 g/mol
LogP5.71
Rot. Bonds7

About N-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide

N-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide (PubChem CID 3292765) has the molecular formula C26H24N4O5S and a molecular weight of 504.57 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
PubChem CID3292765
Molecular FormulaC26H24N4O5S
Molecular Weight504.57 g/mol
Exact Mass504.15
IUPAC NameN-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
SMILESCC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C)c1ccc2ccccc2c1O
InChIInChI=1S/C26H24N4O5S/c1-16-8-12-23(17(2)14-16)29-36(34,35)25-15-20(30(32)33)10-13-24(25)28-27-18(3)21-11-9-19-6-4-5-7-22(19)26(21)31/h4-15,28-29,31H,1-3H3
InChIKeyOJJDTBZPAMUGCV-UHFFFAOYSA-N
XLogP5.71
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.57
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

N-(2,4-dimethylphenyl)-2-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 4685380
2-[[4-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoic acid
CID 4854177
2-[(E)-C-methyl-N-(2-nitroanilino)carbonimidoyl]naphthalen-1-ol
CID 135716763
2-(2-cyclopentylidenehydrazinyl)-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
CID 7939242
N-(2,4-dimethylphenyl)-2-[2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 3985316
N-[1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-4-methyl-3-nitrobenzenesulfonamide
CID 5032601
2-[2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
CID 3349843
2-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
CID 4988053
N-(2,4-dimethylphenyl)-5-nitro-2-[(2Z)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]benzenesulfonamide
CID 6006499
N-(2,4-dimethylphenyl)-2-[(2E)-2-[(7-ethyl-1H-indol-3-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 135614905
2-(2-butan-2-ylidenehydrazinyl)-N-(2-chlorophenyl)-5-nitrobenzenesulfonamide
CID 3893128
N-(2,5-dimethylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7573611

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide (CID 3292765) is N-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide is CC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C)c1ccc2ccccc2c1O.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
The InChIKey is OJJDTBZPAMUGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5S/c1-16-8-12-23(17(2)14-16)29-36(34,35)25-15-20(30(32)33)10-13-24(25)28-27-18(3)21-11-9-19-6-4-5-7-22(19)26(21)31/h4-15,28-29,31H,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
N-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide has a molecular weight of 504.57 g/mol, XLogP of 5.71, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide is sourced from PubChem (CID 3292765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).