4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide

C8H12ClN3O2S — CID 83012665

IUPAC4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C8H12ClN3O2S/c1-12(2)11-15(13,14)8-4-3-6(10)5-7(8)9/h3-5,11H,10H2,1-2H3
InChIKeyPRIZGYYFERLKSK-UHFFFAOYSA-N
MW249.72 g/mol
LogP0.68
Rot. Bonds3

About 4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide

4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide (PubChem CID 83012665) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is 4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide
PubChem CID83012665
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC Name4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C8H12ClN3O2S/c1-12(2)11-15(13,14)8-4-3-6(10)5-7(8)9/h3-5,11H,10H2,1-2H3
InChIKeyPRIZGYYFERLKSK-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012823
3-chloro-4-(dimethylaminosulfamoyl)benzenecarbothioamide
CID 113370429
5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83013292
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea
CID 116646022
4-amino-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476056
4-amino-2-chlorobenzenesulfonamide
CID 12533522
4-amino-2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523987
4-amino-2-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569597
4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467087
4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372042
4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61393032

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide?
The IUPAC name of 4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide (CID 83012665) is 4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for 4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide?
The canonical SMILES for 4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide is CN(C)NS(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide?
The InChIKey is PRIZGYYFERLKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-12(2)11-15(13,14)8-4-3-6(10)5-7(8)9/h3-5,11H,10H2,1-2H3.
What are the key properties of 4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide?
4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide has a molecular weight of 249.72 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 83012665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).