4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide

C15H17N3O5S2 — CID 87849852

IUPAC4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN)cc1.Cc1ccccc1S(=O)(=O)N=C=O
InChIInChI=1S/C8H7NO3S.C7H10N2O2S/c1-7-4-2-3-5-8(7)13(11,12)9-6-10;1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5H,1H3;2-5,9H,8H2,1H3
InChIKeyMLFYXSUSJFGOLC-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.17
Rot. Bonds4

About 4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide

4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide (PubChem CID 87849852) has the molecular formula C15H17N3O5S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide
PubChem CID87849852
Molecular FormulaC15H17N3O5S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC Name4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN)cc1.Cc1ccccc1S(=O)(=O)N=C=O
InChIInChI=1S/C8H7NO3S.C7H10N2O2S/c1-7-4-2-3-5-8(7)13(11,12)9-6-10;1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5H,1H3;2-5,9H,8H2,1H3
InChIKeyMLFYXSUSJFGOLC-UHFFFAOYSA-N
XLogP1.17
TPSA135.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide?
The IUPAC name of 4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide (CID 87849852) is 4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide.
What is the SMILES notation for 4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide?
The canonical SMILES for 4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)NN)cc1.Cc1ccccc1S(=O)(=O)N=C=O.
What is the InChIKey of 4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide?
The InChIKey is MLFYXSUSJFGOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3S.C7H10N2O2S/c1-7-4-2-3-5-8(7)13(11,12)9-6-10;1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5H,1H3;2-5,9H,8H2,1H3.
What are the key properties of 4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide?
4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide has a molecular weight of 383.45 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide is sourced from PubChem (CID 87849852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).