2,3-dimethylbenzenesulfonohydrazide

C8H12N2O2S — CID 139669307

IUPAC2,3-dimethylbenzenesulfonohydrazide
SMILESCc1cccc(S(=O)(=O)NN)c1C
InChIInChI=1S/C8H12N2O2S/c1-6-4-3-5-8(7(6)2)13(11,12)10-9/h3-5,10H,9H2,1-2H3
InChIKeyWSOOVEHIUJZVBJ-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.46
Rot. Bonds2

About 2,3-dimethylbenzenesulfonohydrazide

2,3-dimethylbenzenesulfonohydrazide (PubChem CID 139669307) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2,3-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name2,3-dimethylbenzenesulfonohydrazide
PubChem CID139669307
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2,3-dimethylbenzenesulfonohydrazide
SMILESCc1cccc(S(=O)(=O)NN)c1C
InChIInChI=1S/C8H12N2O2S/c1-6-4-3-5-8(7(6)2)13(11,12)10-9/h3-5,10H,9H2,1-2H3
InChIKeyWSOOVEHIUJZVBJ-UHFFFAOYSA-N
XLogP0.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.46
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

2,3-dimethyl-N-propylbenzenesulfonamide
CID 67800223
2,3-dimethylbenzenesulfonic acid;hydrobromide
CID 174797695
CID 173308144
CID 173308144
ethane;1,2,3-trimethylbenzene
CID 54068667
benzene;1,2,3-trimethylbenzene
CID 159605245
2,3-dimethylbenzenesulfonoperoxoic acid
CID 175563588
2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 62057436
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
1,2-dimethyl-3-prop-1-ynylsulfonylbenzene
CID 175430408
2-amino-3-(2,3-dimethylanilino)benzenesulfonamide
CID 115992330
2,3-dimethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 71564527
methylsulfinylmethane;1,2,3-trimethylbenzene
CID 174947389

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbenzenesulfonohydrazide?
The IUPAC name of 2,3-dimethylbenzenesulfonohydrazide (CID 139669307) is 2,3-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for 2,3-dimethylbenzenesulfonohydrazide?
The canonical SMILES for 2,3-dimethylbenzenesulfonohydrazide is Cc1cccc(S(=O)(=O)NN)c1C.
What is the InChIKey of 2,3-dimethylbenzenesulfonohydrazide?
The InChIKey is WSOOVEHIUJZVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6-4-3-5-8(7(6)2)13(11,12)10-9/h3-5,10H,9H2,1-2H3.
What are the key properties of 2,3-dimethylbenzenesulfonohydrazide?
2,3-dimethylbenzenesulfonohydrazide has a molecular weight of 200.26 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 139669307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).