benzene;methanesulfonohydrazide

C7H12N2O2S — CID 174482827

IUPACbenzene;methanesulfonohydrazide
SMILESCS(=O)(=O)NN.c1ccccc1
InChIInChI=1S/C6H6.CH6N2O2S/c1-2-4-6-5-3-1;1-6(4,5)3-2/h1-6H;3H,2H2,1H3
InChIKeyIHZQPVLPVDIEAZ-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.10
Rot. Bonds1

About benzene;methanesulfonohydrazide

benzene;methanesulfonohydrazide (PubChem CID 174482827) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is benzene;methanesulfonohydrazide.

Molecular Properties

Compound Namebenzene;methanesulfonohydrazide
PubChem CID174482827
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Namebenzene;methanesulfonohydrazide
SMILESCS(=O)(=O)NN.c1ccccc1
InChIInChI=1S/C6H6.CH6N2O2S/c1-2-4-6-5-3-1;1-6(4,5)3-2/h1-6H;3H,2H2,1H3
InChIKeyIHZQPVLPVDIEAZ-UHFFFAOYSA-N
XLogP0.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.10
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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Frequently Asked Questions

What is the IUPAC name of benzene;methanesulfonohydrazide?
The IUPAC name of benzene;methanesulfonohydrazide (CID 174482827) is benzene;methanesulfonohydrazide.
What is the SMILES notation for benzene;methanesulfonohydrazide?
The canonical SMILES for benzene;methanesulfonohydrazide is CS(=O)(=O)NN.c1ccccc1.
What is the InChIKey of benzene;methanesulfonohydrazide?
The InChIKey is IHZQPVLPVDIEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CH6N2O2S/c1-2-4-6-5-3-1;1-6(4,5)3-2/h1-6H;3H,2H2,1H3.
What are the key properties of benzene;methanesulfonohydrazide?
benzene;methanesulfonohydrazide has a molecular weight of 188.25 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methanesulfonohydrazide is sourced from PubChem (CID 174482827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).