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

C13H12Cl2N2O4S2 — CID 8500653

IUPAC3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H12Cl2N2O4S2/c1-9-2-4-10(5-3-9)22(18,19)16-17-23(20,21)11-6-7-12(14)13(15)8-11/h2-8,16-17H,1H3
InChIKeyFLUBQNIQGKLJPR-UHFFFAOYSA-N
MW395.29 g/mol
LogP2.47
Rot. Bonds5

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

3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide (PubChem CID 8500653) has the molecular formula C13H12Cl2N2O4S2 and a molecular weight of 395.29 g/mol. Its IUPAC name is 3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide.

Molecular Properties

Compound Name3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
PubChem CID8500653
Molecular FormulaC13H12Cl2N2O4S2
Molecular Weight395.29 g/mol
Exact Mass393.96
IUPAC Name3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H12Cl2N2O4S2/c1-9-2-4-10(5-3-9)22(18,19)16-17-23(20,21)11-6-7-12(14)13(15)8-11/h2-8,16-17H,1H3
InChIKeyFLUBQNIQGKLJPR-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

N'-(3,4-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616698
5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide
CID 4730121
1,2-dichloro-4-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylbenzene
CID 100976770
2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500668
3,4-dichlorobenzenesulfonohydrazide
CID 2735965
2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 14948232
2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500666
3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727340
3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide
CID 2743187
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
tert-butyl N-[(3,4-dichlorophenyl)sulfonylamino]carbamate
CID 8500952

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
The IUPAC name of 3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide (CID 8500653) is 3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide.
What is the SMILES notation for 3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
The canonical SMILES for 3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
The InChIKey is FLUBQNIQGKLJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O4S2/c1-9-2-4-10(5-3-9)22(18,19)16-17-23(20,21)11-6-7-12(14)13(15)8-11/h2-8,16-17H,1H3.
What are the key properties of 3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
3,4-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 3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide is sourced from PubChem (CID 8500653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).