4-chloro-2,5-dimethylbenzenesulfonohydrazide

C8H11ClN2O2S — CID 2799465

IUPAC4-chloro-2,5-dimethylbenzenesulfonohydrazide
SMILESCc1cc(S(=O)(=O)NN)c(C)cc1Cl
InChIInChI=1S/C8H11ClN2O2S/c1-5-4-8(14(12,13)11-10)6(2)3-7(5)9/h3-4,11H,10H2,1-2H3
InChIKeyDQBLKJSFJAFTAG-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.11
Rot. Bonds2

About 4-chloro-2,5-dimethylbenzenesulfonohydrazide

4-chloro-2,5-dimethylbenzenesulfonohydrazide (PubChem CID 2799465) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 4-chloro-2,5-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name4-chloro-2,5-dimethylbenzenesulfonohydrazide
PubChem CID2799465
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name4-chloro-2,5-dimethylbenzenesulfonohydrazide
SMILESCc1cc(S(=O)(=O)NN)c(C)cc1Cl
InChIInChI=1S/C8H11ClN2O2S/c1-5-4-8(14(12,13)11-10)6(2)3-7(5)9/h3-4,11H,10H2,1-2H3
InChIKeyDQBLKJSFJAFTAG-UHFFFAOYSA-N
XLogP1.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.11
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

1-chloro-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2,5-dimethylbenzene
CID 19736981
2-chloro-5-fluoro-4-methylbenzenesulfonohydrazide
CID 171366796
4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide
CID 22773548
4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide
CID 3465021
4-chloro-2,5-dimethylbenzenesulfonic acid
CID 14910662
4-chloro-3-methylbenzenesulfonohydrazide
CID 82079936
4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
CID 19681262
4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682540
2,5-dichloro-4-methylbenzenesulfonamide
CID 104727916
2-methoxy-4,5-dimethylbenzenesulfonohydrazide
CID 82081811
4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 3790089
4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 156608191

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethylbenzenesulfonohydrazide?
The IUPAC name of 4-chloro-2,5-dimethylbenzenesulfonohydrazide (CID 2799465) is 4-chloro-2,5-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for 4-chloro-2,5-dimethylbenzenesulfonohydrazide?
The canonical SMILES for 4-chloro-2,5-dimethylbenzenesulfonohydrazide is Cc1cc(S(=O)(=O)NN)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethylbenzenesulfonohydrazide?
The InChIKey is DQBLKJSFJAFTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-5-4-8(14(12,13)11-10)6(2)3-7(5)9/h3-4,11H,10H2,1-2H3.
What are the key properties of 4-chloro-2,5-dimethylbenzenesulfonohydrazide?
4-chloro-2,5-dimethylbenzenesulfonohydrazide has a molecular weight of 234.71 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 2799465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).