4-methylbenzenesulfonohydrazide

C7H10N2O2S — CID 15303

IUPAC4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NN)cc1
InChIInChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3
InChIKeyICGLPKIVTVWCFT-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.15
Rot. Bonds2

About 4-methylbenzenesulfonohydrazide

4-methylbenzenesulfonohydrazide (PubChem CID 15303) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-methylbenzenesulfonohydrazide.

Molecular Properties

Compound Name4-methylbenzenesulfonohydrazide
PubChem CID15303
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NN)cc1
InChIInChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3
InChIKeyICGLPKIVTVWCFT-UHFFFAOYSA-N
XLogP0.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylphenoxy)benzenesulfonohydrazide
CID 90979703
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
sodium 4-(hydrazinesulfonyl)phenolate
CID 143649981
4-propan-2-ylbenzenesulfonohydrazide
CID 17372434
4-[[4-(hydrazinesulfonyl)phenyl]methyl]benzenesulfonohydrazide
CID 14048861
4-methylbenzenesulfonohydrazide;2-methyl-N-(oxomethylidene)benzenesulfonamide
CID 87849852
1-amino-3-(4-methylphenyl)sulfonylthiourea
CID 91622634
(4-methylphenyl)sulfonylurea;urea
CID 160676948
benzenesulfonohydrazide;hydrate
CID 21414143
aminourea;4-methylbenzenesulfonamide
CID 174801132
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933

Frequently Asked Questions

What is the IUPAC name of 4-methylbenzenesulfonohydrazide?
The IUPAC name of 4-methylbenzenesulfonohydrazide (CID 15303) is 4-methylbenzenesulfonohydrazide.
What is the SMILES notation for 4-methylbenzenesulfonohydrazide?
The canonical SMILES for 4-methylbenzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NN)cc1.
What is the InChIKey of 4-methylbenzenesulfonohydrazide?
The InChIKey is ICGLPKIVTVWCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3.
What are the key properties of 4-methylbenzenesulfonohydrazide?
4-methylbenzenesulfonohydrazide has a molecular weight of 186.24 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzenesulfonohydrazide is sourced from PubChem (CID 15303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).