[4-[4-hydrazinyl-4-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]sulfonyl-1-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]hydrazine

C24H24N6O6S — CID 22216268

IUPAC[4-[4-hydrazinyl-4-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]sulfonyl-1-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]hydrazine
SMILESNNC1(c2ccccc2[N+](=O)[O-])C=CC(S(=O)(=O)C2C=CC(NN)(c3ccccc3[N+](=O)[O-])C=C2)C=C1
InChIInChI=1S/C24H24N6O6S/c25-27-23(19-5-1-3-7-21(19)29(31)32)13-9-17(10-14-23)37(35,36)18-11-15-24(28-26,16-12-18)20-6-2-4-8-22(20)30(33)34/h1-18,27-28H,25-26H2
InChIKeyQKRBQPWYQWFUNL-UHFFFAOYSA-N
MW524.56 g/mol
LogP1.92
Rot. Bonds8

About [4-[4-hydrazinyl-4-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]sulfonyl-1-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]hydrazine

[4-[4-hydrazinyl-4-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]sulfonyl-1-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]hydrazine (PubChem CID 22216268) has the molecular formula C24H24N6O6S and a molecular weight of 524.56 g/mol. Its IUPAC name is [4-[4-hydrazinyl-4-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]sulfonyl-1-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]hydrazine.

Molecular Properties

Compound Name[4-[4-hydrazinyl-4-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]sulfonyl-1-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]hydrazine
PubChem CID22216268
Molecular FormulaC24H24N6O6S
Molecular Weight524.56 g/mol
Exact Mass524.15
IUPAC Name[4-[4-hydrazinyl-4-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]sulfonyl-1-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]hydrazine
SMILESNNC1(c2ccccc2[N+](=O)[O-])C=CC(S(=O)(=O)C2C=CC(NN)(c3ccccc3[N+](=O)[O-])C=C2)C=C1
InChIInChI=1S/C24H24N6O6S/c25-27-23(19-5-1-3-7-21(19)29(31)32)13-9-17(10-14-23)37(35,36)18-11-15-24(28-26,16-12-18)20-6-2-4-8-22(20)30(33)34/h1-18,27-28H,25-26H2
InChIKeyQKRBQPWYQWFUNL-UHFFFAOYSA-N
XLogP1.92
TPSA196.52 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.56
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

1-(2-nitrophenyl)cyclopropan-1-amine
CID 55253196
1-(2-nitrophenyl)cyclopropane-1-carbaldehyde
CID 10888753
[1-(2-nitrophenyl)cyclopropyl]methanamine
CID 55253012
9-methyl-9-(2-nitrophenyl)fluorene
CID 129293080
1-nitro-2-(2-nitrophenyl)sulfonylsulfonylbenzene
CID 54533031
azanide;1,2-dinitrobenzene;platinum
CID 158959684
N-(2-bromo-3-nitrophenyl)furan-3-sulfonamide
CID 167743979
trans-2-O-ethyl 1-O-methyl (1R,2R)-1-(2-nitrophenyl)cyclopropane-1,2-dicarboxylate
CID 102153179
methyl (3R,5R)-2-methyl-5-(2-nitrophenyl)-3-phenyl-1,2-oxazolidine-5-carboxylate
CID 24757626
sodium dinitro-(2-nitrophenyl)methanesulfonate
CID 139815754
1-ethylsulfonyl-2-nitrobenzene
CID 12646354
(2S,3S,4S,5S,6R)-6-methyl-2-(2-nitrophenyl)oxane-2,3,4,5-tetrol
CID 70140220

Frequently Asked Questions

What is the IUPAC name of [4-[4-hydrazinyl-4-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]sulfonyl-1-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]hydrazine?
The IUPAC name of [4-[4-hydrazinyl-4-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]sulfonyl-1-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]hydrazine (CID 22216268) is [4-[4-hydrazinyl-4-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]sulfonyl-1-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]hydrazine.
What is the SMILES notation for [4-[4-hydrazinyl-4-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]sulfonyl-1-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]hydrazine?
The canonical SMILES for [4-[4-hydrazinyl-4-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]sulfonyl-1-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]hydrazine is NNC1(c2ccccc2[N+](=O)[O-])C=CC(S(=O)(=O)C2C=CC(NN)(c3ccccc3[N+](=O)[O-])C=C2)C=C1.
What is the InChIKey of [4-[4-hydrazinyl-4-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]sulfonyl-1-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]hydrazine?
The InChIKey is QKRBQPWYQWFUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O6S/c25-27-23(19-5-1-3-7-21(19)29(31)32)13-9-17(10-14-23)37(35,36)18-11-15-24(28-26,16-12-18)20-6-2-4-8-22(20)30(33)34/h1-18,27-28H,25-26H2.
What are the key properties of [4-[4-hydrazinyl-4-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]sulfonyl-1-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]hydrazine?
[4-[4-hydrazinyl-4-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]sulfonyl-1-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]hydrazine has a molecular weight of 524.56 g/mol, XLogP of 1.92, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-hydrazinyl-4-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]sulfonyl-1-(2-nitrophenyl)cyclohexa-2,5-dien-1-yl]hydrazine is sourced from PubChem (CID 22216268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).