2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide

C24H27N3O3S — CID 3510733

IUPAC2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide
SMILESCCc1cccc(CC)c1Nc1ccccc1C(=O)NNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H27N3O3S/c1-4-18-9-8-10-19(5-2)23(18)25-22-12-7-6-11-21(22)24(28)26-27-31(29,30)20-15-13-17(3)14-16-20/h6-16,25,27H,4-5H2,1-3H3,(H,26,28)
InChIKeyRQMLRYVXCDEUFA-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.49
Rot. Bonds8

About 2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide

2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide (PubChem CID 3510733) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide
PubChem CID3510733
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide
SMILESCCc1cccc(CC)c1Nc1ccccc1C(=O)NNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H27N3O3S/c1-4-18-9-8-10-19(5-2)23(18)25-22-12-7-6-11-21(22)24(28)26-27-31(29,30)20-15-13-17(3)14-16-20/h6-16,25,27H,4-5H2,1-3H3,(H,26,28)
InChIKeyRQMLRYVXCDEUFA-UHFFFAOYSA-N
XLogP4.49
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3521473
2-hydroxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 766765
N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide
CID 54112488
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
2-hydroxy-N'-(4-propylphenyl)sulfonylbenzohydrazide
CID 8511154
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 3580359
1-N',4-N'-bis-(4-methylphenyl)sulfonylbutanedihydrazide
CID 5153632
N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide
CID 26951444
N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 100558623
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
(2S)-2-amino-N'-(4-methylphenyl)sulfonyl-3-phenylpropanehydrazide
CID 132520532

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide?
The IUPAC name of 2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide (CID 3510733) is 2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide?
The canonical SMILES for 2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide is CCc1cccc(CC)c1Nc1ccccc1C(=O)NNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide?
The InChIKey is RQMLRYVXCDEUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-4-18-9-8-10-19(5-2)23(18)25-22-12-7-6-11-21(22)24(28)26-27-31(29,30)20-15-13-17(3)14-16-20/h6-16,25,27H,4-5H2,1-3H3,(H,26,28).
What are the key properties of 2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide?
2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide has a molecular weight of 437.57 g/mol, XLogP of 4.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 3510733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).