N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide

C15H15FN2O3S — CID 8504906

IUPACN'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C15H15FN2O3S/c1-10-3-8-14(11(2)9-10)15(19)17-18-22(20,21)13-6-4-12(16)5-7-13/h3-9,18H,1-2H3,(H,17,19)
InChIKeyBOOLWXYXLYLXKD-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.07
Rot. Bonds4

About N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide

N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide (PubChem CID 8504906) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
PubChem CID8504906
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC NameN'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C15H15FN2O3S/c1-10-3-8-14(11(2)9-10)15(19)17-18-22(20,21)13-6-4-12(16)5-7-13/h3-9,18H,1-2H3,(H,17,19)
InChIKeyBOOLWXYXLYLXKD-UHFFFAOYSA-N
XLogP2.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.07
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

N'-(2,4-difluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504905
N'-(4-bromo-3-methylphenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504967
N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide
CID 8822934
N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide
CID 54112488
N'-(2,5-difluorobenzoyl)-2,4-dimethylbenzohydrazide
CID 24644754
N'-(2-bromo-4-fluorobenzoyl)-2,4-dimethylbenzohydrazide
CID 9276694
N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504948
2-hydroxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 766765
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
[(4-fluorophenyl)sulfonylamino]urea
CID 140574528
4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 170607681

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide (CID 8504906) is N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide is Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide?
The InChIKey is BOOLWXYXLYLXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-10-3-8-14(11(2)9-10)15(19)17-18-22(20,21)13-6-4-12(16)5-7-13/h3-9,18H,1-2H3,(H,17,19).
What are the key properties of N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide?
N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide has a molecular weight of 322.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 8504906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).