N'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide

C21H18ClFN2O3S — CID 134581313

IUPACN'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)Cc2ccccc2Cl)c1F
InChIInChI=1S/C21H18ClFN2O3S/c1-14-11-17(15-7-3-2-4-8-15)12-18(20(14)23)21(26)24-25-29(27,28)13-16-9-5-6-10-19(16)22/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyCPGWNHLEWQUZBY-UHFFFAOYSA-N
MW432.90 g/mol
LogP4.22
Rot. Bonds6

About N'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide

N'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide (PubChem CID 134581313) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide
PubChem CID134581313
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC NameN'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)Cc2ccccc2Cl)c1F
InChIInChI=1S/C21H18ClFN2O3S/c1-14-11-17(15-7-3-2-4-8-15)12-18(20(14)23)21(26)24-25-29(27,28)13-16-9-5-6-10-19(16)22/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyCPGWNHLEWQUZBY-UHFFFAOYSA-N
XLogP4.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 54.22
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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Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide?
The IUPAC name of N'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide (CID 134581313) is N'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide.
What is the SMILES notation for N'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide?
The canonical SMILES for N'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide is Cc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)Cc2ccccc2Cl)c1F.
What is the InChIKey of N'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide?
The InChIKey is CPGWNHLEWQUZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c1-14-11-17(15-7-3-2-4-8-15)12-18(20(14)23)21(26)24-25-29(27,28)13-16-9-5-6-10-19(16)22/h2-12,25H,13H2,1H3,(H,24,26).
What are the key properties of N'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide?
N'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide has a molecular weight of 432.90 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide is sourced from PubChem (CID 134581313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).