4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide

C13H9Cl3N2O4S — CID 100820121

IUPAC4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)c1ccc(O)cc1
InChIInChI=1S/C13H9Cl3N2O4S/c14-9-5-11(16)12(6-10(9)15)23(21,22)18-17-13(20)7-1-3-8(19)4-2-7/h1-6,18-19H,(H,17,20)
InChIKeyWQJOGBKDNWRJJN-UHFFFAOYSA-N
MW395.65 g/mol
LogP2.98
Rot. Bonds4

About 4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide

4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide (PubChem CID 100820121) has the molecular formula C13H9Cl3N2O4S and a molecular weight of 395.65 g/mol. Its IUPAC name is 4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide
PubChem CID100820121
Molecular FormulaC13H9Cl3N2O4S
Molecular Weight395.65 g/mol
Exact Mass393.93
IUPAC Name4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)c1ccc(O)cc1
InChIInChI=1S/C13H9Cl3N2O4S/c14-9-5-11(16)12(6-10(9)15)23(21,22)18-17-13(20)7-1-3-8(19)4-2-7/h1-6,18-19H,(H,17,20)
InChIKeyWQJOGBKDNWRJJN-UHFFFAOYSA-N
XLogP2.98
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.65
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid
CID 100820484
4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 28534866
N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide
CID 32673196
3-chloro-N'-(2,5-dichlorophenyl)sulfonylbenzohydrazide
CID 8616581
N'-(3,4-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616698
4-hydroxy-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 2367622
4-[(2,4,5-trichlorophenyl)sulfonylamino]benzoate
CID 7477012
N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616766
N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide
CID 2742129
2,4,5-trichloro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 39845466
N'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide
CID 8523762
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide?
The IUPAC name of 4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide (CID 100820121) is 4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide?
The canonical SMILES for 4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide is O=C(NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide?
The InChIKey is WQJOGBKDNWRJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O4S/c14-9-5-11(16)12(6-10(9)15)23(21,22)18-17-13(20)7-1-3-8(19)4-2-7/h1-6,18-19H,(H,17,20).
What are the key properties of 4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide?
4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide has a molecular weight of 395.65 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-(2,4,5-trichlorophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 100820121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).