2-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide

C22H20F2N4O5S — CID 6303211

IUPAC2-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C\c2ccc(OC(F)F)cc2)c(C)c1
InChIInChI=1S/C22H20F2N4O5S/c1-14-3-9-19(15(2)11-14)27-34(31,32)21-12-17(28(29)30)6-10-20(21)26-25-13-16-4-7-18(8-5-16)33-22(23)24/h3-13,22,26-27H,1-2H3/b25-13-
InChIKeyFNMXZXUZWNOXNA-MXAYSNPKSA-N
MW490.49 g/mol
LogP5.06
Rot. Bonds9

About 2-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide

2-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide (PubChem CID 6303211) has the molecular formula C22H20F2N4O5S and a molecular weight of 490.49 g/mol. Its IUPAC name is 2-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
PubChem CID6303211
Molecular FormulaC22H20F2N4O5S
Molecular Weight490.49 g/mol
Exact Mass490.11
IUPAC Name2-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C\c2ccc(OC(F)F)cc2)c(C)c1
InChIInChI=1S/C22H20F2N4O5S/c1-14-3-9-19(15(2)11-14)27-34(31,32)21-12-17(28(29)30)6-10-20(21)26-25-13-16-4-7-18(8-5-16)33-22(23)24/h3-13,22,26-27H,1-2H3/b25-13-
InChIKeyFNMXZXUZWNOXNA-MXAYSNPKSA-N
XLogP5.06
TPSA122.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.49
LogP ≤ 55.06
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-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3338103
N-(2,4-dimethylphenyl)-5-nitro-2-[(2Z)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]benzenesulfonamide
CID 6006499
2-[2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
CID 3349843
N-(4-methoxyphenyl)-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 42991074
2-[2-[(2,5-dimethylphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3394807
2-[2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3651261
2-[(2Z)-2-benzylidenehydrazinyl]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 6037118
N-(2-chlorophenyl)-5-nitro-2-[2-[(4-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4653257
2-(2-cyclopentylidenehydrazinyl)-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
CID 7939242
methyl 4-[[[2-[(4-methoxyphenyl)sulfamoyl]-4-nitrophenyl]hydrazinylidene]methyl]benzoate
CID 5222372
N-(2,4-dimethylphenyl)-2-[2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 3985316
2-[2-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide
CID 5099350

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide (CID 6303211) is 2-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C\c2ccc(OC(F)F)cc2)c(C)c1.
What is the InChIKey of 2-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide?
The InChIKey is FNMXZXUZWNOXNA-MXAYSNPKSA-N. The full InChI is InChI=1S/C22H20F2N4O5S/c1-14-3-9-19(15(2)11-14)27-34(31,32)21-12-17(28(29)30)6-10-20(21)26-25-13-16-4-7-18(8-5-16)33-22(23)24/h3-13,22,26-27H,1-2H3/b25-13-.
What are the key properties of 2-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide?
2-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide has a molecular weight of 490.49 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-N-(2,4-dimethylphenyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 6303211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).