2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide

C13H12Cl2N2O4S2 — CID 8500668

IUPAC2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNS(=O)(=O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O4S2/c1-9-5-7-10(8-6-9)22(18,19)16-17-23(20,21)12-4-2-3-11(14)13(12)15/h2-8,16-17H,1H3
InChIKeyWVHHBHCAFYFHFL-UHFFFAOYSA-N
MW395.29 g/mol
LogP2.47
Rot. Bonds5

About 2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide

2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide (PubChem CID 8500668) has the molecular formula C13H12Cl2N2O4S2 and a molecular weight of 395.29 g/mol. Its IUPAC name is 2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide.

Molecular Properties

Compound Name2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
PubChem CID8500668
Molecular FormulaC13H12Cl2N2O4S2
Molecular Weight395.29 g/mol
Exact Mass393.96
IUPAC Name2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNS(=O)(=O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O4S2/c1-9-5-7-10(8-6-9)22(18,19)16-17-23(20,21)12-4-2-3-11(14)13(12)15/h2-8,16-17H,1H3
InChIKeyWVHHBHCAFYFHFL-UHFFFAOYSA-N
XLogP2.47
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500653
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500666
N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 58009712
(2,3-dichlorophenyl) N-(4-methylphenyl)sulfonylcarbamate
CID 165353514
2,3-dichloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 9330124
N'-(2,3-dichlorophenyl)sulfonylpropanehydrazide
CID 8505483
tert-butyl N-[(2,3-dichlorophenyl)sulfonylamino]carbamate
CID 8500966
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
2-[(2,3-dichlorophenyl)hydrazinylidene]-N,N'-bis-(4-methylphenyl)sulfonylpropanediamide
CID 4873326
1-[2-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 138617489

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
The IUPAC name of 2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide (CID 8500668) is 2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide.
What is the SMILES notation for 2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
The canonical SMILES for 2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNS(=O)(=O)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
The InChIKey is WVHHBHCAFYFHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O4S2/c1-9-5-7-10(8-6-9)22(18,19)16-17-23(20,21)12-4-2-3-11(14)13(12)15/h2-8,16-17H,1H3.
What are the key properties of 2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide has a molecular weight of 395.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide is sourced from PubChem (CID 8500668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).