N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide

C15H16N2O3S — CID 54112488

IUPACN'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide
SMILESCc1ccc(C)c(C(=O)NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H16N2O3S/c1-11-8-9-12(2)14(10-11)15(18)16-17-21(19,20)13-6-4-3-5-7-13/h3-10,17H,1-2H3,(H,16,18)
InChIKeyNIBNMRMIPJOART-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.93
Rot. Bonds4

About N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide

N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide (PubChem CID 54112488) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide
PubChem CID54112488
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide
SMILESCc1ccc(C)c(C(=O)NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H16N2O3S/c1-11-8-9-12(2)14(10-11)15(18)16-17-21(19,20)13-6-4-3-5-7-13/h3-10,17H,1-2H3,(H,16,18)
InChIKeyNIBNMRMIPJOART-UHFFFAOYSA-N
XLogP1.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 766765
N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504906
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
N',2,5-trimethylbenzohydrazide
CID 116846828
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504967
2,5-dimethyl-N-phenylmethoxybenzamide
CID 9227271
2-amino-N'-(benzenesulfonyl)pyridine-3-carbohydrazide
CID 56689453
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
N'-(2-fluoro-5-methylphenyl)sulfonyl-2-hydroxybenzohydrazide
CID 60532960
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 55878321

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide (CID 54112488) is N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide is Cc1ccc(C)c(C(=O)NNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide?
The InChIKey is NIBNMRMIPJOART-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-11-8-9-12(2)14(10-11)15(18)16-17-21(19,20)13-6-4-3-5-7-13/h3-10,17H,1-2H3,(H,16,18).
What are the key properties of N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide?
N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide has a molecular weight of 304.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide is sourced from PubChem (CID 54112488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).