2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide

C20H24FN3O3S — CID 134581179

IUPAC2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)CC2CCCNC2)c1F
InChIInChI=1S/C20H24FN3O3S/c1-14-10-17(16-7-3-2-4-8-16)11-18(19(14)21)20(25)23-24-28(26,27)13-15-6-5-9-22-12-15/h2-4,7-8,10-11,15,22,24H,5-6,9,12-13H2,1H3,(H,23,25)
InChIKeyBVAGGKPGWMYBDY-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.36
Rot. Bonds6

About 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide

2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide (PubChem CID 134581179) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide.

Molecular Properties

Compound Name2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide
PubChem CID134581179
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)CC2CCCNC2)c1F
InChIInChI=1S/C20H24FN3O3S/c1-14-10-17(16-7-3-2-4-8-16)11-18(19(14)21)20(25)23-24-28(26,27)13-15-6-5-9-22-12-15/h2-4,7-8,10-11,15,22,24H,5-6,9,12-13H2,1H3,(H,23,25)
InChIKeyBVAGGKPGWMYBDY-UHFFFAOYSA-N
XLogP2.36
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.36
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

(1,1'-Biphenyl)-3-carboxylic acid, 4-fluoro-5-methyl-, 2-(phenylsulfonyl)hydrazide
CID 133053564
N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-2-fluorobenzohydrazide
CID 4877378
N'-(2-fluorophenyl)sulfonyl-3-propan-2-ylbenzohydrazide
CID 124132211
N'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472585
2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 2086052
4-[[3-(4-ethylsulfonylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-phthalazin-1-one
CID 124221290
4-fluoro-N-[2-(4-methylpiperidin-1-yl)sulfonylethyl]benzamide
CID 7423331
N'-(4-Fluorobenzenesulfonyl)-4-(piperidine-1-sulfonyl)benzohydrazide
CID 1140003
Tert-butyl 3-[[(2-fluoro-3-methyl-5-phenylbenzoyl)amino]sulfamoylmethyl]piperidine-1-carboxylate
CID 134581174
3-chloro-N'-[(1,4-dimethylpiperazin-2-yl)methylsulfonyl]-2-fluoro-5-(3-methylphenyl)benzohydrazide
CID 167076488
N'-(azepan-3-ylmethylsulfonyl)-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide
CID 167076556
3-chloro-2-fluoro-5-(3-methylphenyl)-N'-(piperazin-2-ylmethylsulfonyl)benzohydrazide
CID 167076631

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide?
The IUPAC name of 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide (CID 134581179) is 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide.
What is the SMILES notation for 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide?
The canonical SMILES for 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide is Cc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)CC2CCCNC2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide?
The InChIKey is BVAGGKPGWMYBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-14-10-17(16-7-3-2-4-8-16)11-18(19(14)21)20(25)23-24-28(26,27)13-15-6-5-9-22-12-15/h2-4,7-8,10-11,15,22,24H,5-6,9,12-13H2,1H3,(H,23,25).
What are the key properties of 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide?
2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide has a molecular weight of 405.50 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-5-phenyl-N'-(piperidin-3-ylmethylsulfonyl)benzohydrazide is sourced from PubChem (CID 134581179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).