N-(4-methoxyphenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide

C20H24N4O5S — CID 18289331

IUPACN-(4-methoxyphenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=C2CCC(C)CC2)cc1
InChIInChI=1S/C20H24N4O5S/c1-14-3-5-15(6-4-14)21-22-19-12-9-17(24(25)26)13-20(19)30(27,28)23-16-7-10-18(29-2)11-8-16/h7-14,22-23H,3-6H2,1-2H3/b21-15-
InChIKeyCRLWBDODAAAICG-QNGOZBTKSA-N
MW432.50 g/mol
LogP4.38
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide

N-(4-methoxyphenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide (PubChem CID 18289331) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide
PubChem CID18289331
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC NameN-(4-methoxyphenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=C2CCC(C)CC2)cc1
InChIInChI=1S/C20H24N4O5S/c1-14-3-5-15(6-4-14)21-22-19-12-9-17(24(25)26)13-20(19)30(27,28)23-16-7-10-18(29-2)11-8-16/h7-14,22-23H,3-6H2,1-2H3/b21-15-
InChIKeyCRLWBDODAAAICG-QNGOZBTKSA-N
XLogP4.38
TPSA122.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-cycloheptylidenehydrazinyl)-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3616711
N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide
CID 18271748
methyl 4-[[[2-[(4-methoxyphenyl)sulfamoyl]-4-nitrophenyl]hydrazinylidene]methyl]benzoate
CID 5222372
2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3651261
2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3400997
N-(4-methoxyphenyl)-2-[2-[(2-methylphenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 3492789
N-(4-methoxyphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 18283507
4-(2-cyclohexylidenehydrazinyl)-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 4627079
2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 18224948
2-[2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3394807
N-(4-methoxyphenyl)-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 42991074
2-chloro-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 2871205

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide (CID 18289331) is N-(4-methoxyphenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=C2CCC(C)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide?
The InChIKey is CRLWBDODAAAICG-QNGOZBTKSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-14-3-5-15(6-4-14)21-22-19-12-9-17(24(25)26)13-20(19)30(27,28)23-16-7-10-18(29-2)11-8-16/h7-14,22-23H,3-6H2,1-2H3/b21-15-.
What are the key properties of N-(4-methoxyphenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide?
N-(4-methoxyphenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide has a molecular weight of 432.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide is sourced from PubChem (CID 18289331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).