4-chloro-3-methylbenzenesulfonohydrazide

C7H9ClN2O2S — CID 82079936

IUPAC4-chloro-3-methylbenzenesulfonohydrazide
SMILESCc1cc(S(=O)(=O)NN)ccc1Cl
InChIInChI=1S/C7H9ClN2O2S/c1-5-4-6(2-3-7(5)8)13(11,12)10-9/h2-4,10H,9H2,1H3
InChIKeyAOLAEJKYVCPCGG-UHFFFAOYSA-N
MW220.68 g/mol
LogP0.80
Rot. Bonds2

About 4-chloro-3-methylbenzenesulfonohydrazide

4-chloro-3-methylbenzenesulfonohydrazide (PubChem CID 82079936) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is 4-chloro-3-methylbenzenesulfonohydrazide.

Molecular Properties

Compound Name4-chloro-3-methylbenzenesulfonohydrazide
PubChem CID82079936
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Name4-chloro-3-methylbenzenesulfonohydrazide
SMILESCc1cc(S(=O)(=O)NN)ccc1Cl
InChIInChI=1S/C7H9ClN2O2S/c1-5-4-6(2-3-7(5)8)13(11,12)10-9/h2-4,10H,9H2,1H3
InChIKeyAOLAEJKYVCPCGG-UHFFFAOYSA-N
XLogP0.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 50.80
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-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
3,4-dichlorobenzenesulfonohydrazide
CID 2735965
4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 39845241
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689
4-chloro-N-(cyanomethyl)-3-methylbenzenesulfonamide
CID 82294521
4-chloro-N-(4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 697402
N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
CID 7718536
1-(4-chloro-3-methylphenyl)sulfonylethanamine
CID 117036191
4-chloro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 113098372
1-chloro-4-(chloromethylsulfonyl)-2-methylbenzene
CID 117036669

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylbenzenesulfonohydrazide?
The IUPAC name of 4-chloro-3-methylbenzenesulfonohydrazide (CID 82079936) is 4-chloro-3-methylbenzenesulfonohydrazide.
What is the SMILES notation for 4-chloro-3-methylbenzenesulfonohydrazide?
The canonical SMILES for 4-chloro-3-methylbenzenesulfonohydrazide is Cc1cc(S(=O)(=O)NN)ccc1Cl.
What is the InChIKey of 4-chloro-3-methylbenzenesulfonohydrazide?
The InChIKey is AOLAEJKYVCPCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-5-4-6(2-3-7(5)8)13(11,12)10-9/h2-4,10H,9H2,1H3.
What are the key properties of 4-chloro-3-methylbenzenesulfonohydrazide?
4-chloro-3-methylbenzenesulfonohydrazide has a molecular weight of 220.68 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methylbenzenesulfonohydrazide is sourced from PubChem (CID 82079936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).