4-chloro-3-nitro-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide

C12H7Cl4N3O4S — CID 42993401

IUPAC4-chloro-3-nitro-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1Cl
InChIInChI=1S/C12H7Cl4N3O4S/c13-6-3-9(15)12(10(16)4-6)17-18-24(22,23)7-1-2-8(14)11(5-7)19(20)21/h1-5,17-18H
InChIKeyTUPJWGOXYJYOCW-UHFFFAOYSA-N
MW431.08 g/mol
LogP4.51
Rot. Bonds5

About 4-chloro-3-nitro-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide

4-chloro-3-nitro-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide (PubChem CID 42993401) has the molecular formula C12H7Cl4N3O4S and a molecular weight of 431.08 g/mol. Its IUPAC name is 4-chloro-3-nitro-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-chloro-3-nitro-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide
PubChem CID42993401
Molecular FormulaC12H7Cl4N3O4S
Molecular Weight431.08 g/mol
Exact Mass428.89
IUPAC Name4-chloro-3-nitro-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1Cl
InChIInChI=1S/C12H7Cl4N3O4S/c13-6-3-9(15)12(10(16)4-6)17-18-24(22,23)7-1-2-8(14)11(5-7)19(20)21/h1-5,17-18H
InChIKeyTUPJWGOXYJYOCW-UHFFFAOYSA-N
XLogP4.51
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.08
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2888137
[(4-chloro-3-nitrophenyl)sulfonylamino]thiourea
CID 65214693
4-chloro-N-(2-chloroethyl)-3-nitrobenzenesulfonamide
CID 61288897
3-[(2,4,6-trichloroanilino)sulfamoyl]benzenesulfonamide
CID 31064906
potassium 4-chloro-3-nitrobenzenesulfonic acid
CID 54600427
4-chloro-N-(3-methylbutan-2-yl)-3-nitrobenzenesulfonamide
CID 43089665
3,5-dichloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523386
potassium;4-chloro-3-nitrobenzenesulfonate;4-chloro-3-nitrobenzenesulfonyl chloride
CID 159793173
1-[(4-chloro-3-nitrophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
CID 118710604
4-chloro-3-nitro-N-piperidin-1-ylbenzenesulfonamide
CID 83014231
[(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid
CID 22179300
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide?
The IUPAC name of 4-chloro-3-nitro-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide (CID 42993401) is 4-chloro-3-nitro-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide.
What is the SMILES notation for 4-chloro-3-nitro-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide?
The canonical SMILES for 4-chloro-3-nitro-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide is O=[N+]([O-])c1cc(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1Cl.
What is the InChIKey of 4-chloro-3-nitro-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide?
The InChIKey is TUPJWGOXYJYOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4N3O4S/c13-6-3-9(15)12(10(16)4-6)17-18-24(22,23)7-1-2-8(14)11(5-7)19(20)21/h1-5,17-18H.
What are the key properties of 4-chloro-3-nitro-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide?
4-chloro-3-nitro-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide has a molecular weight of 431.08 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-N'-(2,4,6-trichlorophenyl)benzenesulfonohydrazide is sourced from PubChem (CID 42993401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).