N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide

C16H17FN2O3S — CID 134581312

IUPACN'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide
SMILESCCS(=O)(=O)NNC(=O)c1cc(-c2ccccc2)cc(C)c1F
InChIInChI=1S/C16H17FN2O3S/c1-3-23(21,22)19-18-16(20)14-10-13(9-11(2)15(14)17)12-7-5-4-6-8-12/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeySVBRBTDDXXHYKS-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.39
Rot. Bonds5

About N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide

N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide (PubChem CID 134581312) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide
PubChem CID134581312
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide
SMILESCCS(=O)(=O)NNC(=O)c1cc(-c2ccccc2)cc(C)c1F
InChIInChI=1S/C16H17FN2O3S/c1-3-23(21,22)19-18-16(20)14-10-13(9-11(2)15(14)17)12-7-5-4-6-8-12/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeySVBRBTDDXXHYKS-UHFFFAOYSA-N
XLogP2.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.39
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-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide
CID 134581313
2-fluoro-3-methyl-N'-[(1-methylpiperidin-3-yl)methylsulfonyl]-5-phenylbenzohydrazide
CID 134581224
2-fluoro-N'-[[1-(2-hydroxyethyl)piperidin-4-yl]methylsulfonyl]-3-methyl-5-phenylbenzohydrazide
CID 134581031
2-fluoro-N'-[[1-(2-methoxyacetyl)piperidin-4-yl]methylsulfonyl]-3-methyl-5-phenylbenzohydrazide
CID 134581034
2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide
CID 134581287
N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide
CID 134581165
N'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide
CID 134581329
2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide
CID 142366380
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 167569996
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 167570002
1-(2-chlorophenyl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide
CID 167577283
2-fluoro-3-methyl-N'-phenylsulfanyl-5-pyridin-3-ylbenzohydrazide
CID 142366221

Frequently Asked Questions

What is the IUPAC name of N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide?
The IUPAC name of N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide (CID 134581312) is N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide.
What is the SMILES notation for N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide?
The canonical SMILES for N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide is CCS(=O)(=O)NNC(=O)c1cc(-c2ccccc2)cc(C)c1F.
What is the InChIKey of N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide?
The InChIKey is SVBRBTDDXXHYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-3-23(21,22)19-18-16(20)14-10-13(9-11(2)15(14)17)12-7-5-4-6-8-12/h4-10,19H,3H2,1-2H3,(H,18,20).
What are the key properties of N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide?
N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide has a molecular weight of 336.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide is sourced from PubChem (CID 134581312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).