bis-(4-methylphenyl)sulfonylmethylidenehydrazine

C15H16N2O4S2 — CID 154263261

IUPACbis-(4-methylphenyl)sulfonylmethylidenehydrazine
SMILESCc1ccc(S(=O)(=O)C(=NN)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H16N2O4S2/c1-11-3-7-13(8-4-11)22(18,19)15(17-16)23(20,21)14-9-5-12(2)6-10-14/h3-10H,16H2,1-2H3
InChIKeyFDSBVQSWIOHAIJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.78
Rot. Bonds2

About bis-(4-methylphenyl)sulfonylmethylidenehydrazine

bis-(4-methylphenyl)sulfonylmethylidenehydrazine (PubChem CID 154263261) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is bis-(4-methylphenyl)sulfonylmethylidenehydrazine.

Molecular Properties

Compound Namebis-(4-methylphenyl)sulfonylmethylidenehydrazine
PubChem CID154263261
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC Namebis-(4-methylphenyl)sulfonylmethylidenehydrazine
SMILESCc1ccc(S(=O)(=O)C(=NN)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H16N2O4S2/c1-11-3-7-13(8-4-11)22(18,19)15(17-16)23(20,21)14-9-5-12(2)6-10-14/h3-10H,16H2,1-2H3
InChIKeyFDSBVQSWIOHAIJ-UHFFFAOYSA-N
XLogP1.78
TPSA106.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)sulfonylethenamine
CID 57364782
(4-methylphenyl)sulfonylformyl chloride
CID 12530344
1-(1-bromoethenylsulfonyl)-4-methylbenzene
CID 13203013
1-(1-iodoethenylsulfonyl)-4-methylbenzene
CID 174930714
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
4-methylbenzenesulfonic acid
CID 157221593
1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine
CID 71437493
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
4-methylbenzenesulfonic acid;hydrobromide
CID 87724042
bis(4-methylbenzenesulfonamide);selane
CID 173300479

Frequently Asked Questions

What is the IUPAC name of bis-(4-methylphenyl)sulfonylmethylidenehydrazine?
The IUPAC name of bis-(4-methylphenyl)sulfonylmethylidenehydrazine (CID 154263261) is bis-(4-methylphenyl)sulfonylmethylidenehydrazine.
What is the SMILES notation for bis-(4-methylphenyl)sulfonylmethylidenehydrazine?
The canonical SMILES for bis-(4-methylphenyl)sulfonylmethylidenehydrazine is Cc1ccc(S(=O)(=O)C(=NN)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of bis-(4-methylphenyl)sulfonylmethylidenehydrazine?
The InChIKey is FDSBVQSWIOHAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c1-11-3-7-13(8-4-11)22(18,19)15(17-16)23(20,21)14-9-5-12(2)6-10-14/h3-10H,16H2,1-2H3.
What are the key properties of bis-(4-methylphenyl)sulfonylmethylidenehydrazine?
bis-(4-methylphenyl)sulfonylmethylidenehydrazine has a molecular weight of 352.44 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis-(4-methylphenyl)sulfonylmethylidenehydrazine is sourced from PubChem (CID 154263261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).