N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide

C21H24F2N2O3S — CID 134581165

IUPACN'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide
SMILESCc1cc(-c2cccc(F)c2)cc(C(=O)NNS(=O)(=O)CC2CCCCC2)c1F
InChIInChI=1S/C21H24F2N2O3S/c1-14-10-17(16-8-5-9-18(22)11-16)12-19(20(14)23)21(26)24-25-29(27,28)13-15-6-3-2-4-7-15/h5,8-12,15,25H,2-4,6-7,13H2,1H3,(H,24,26)
InChIKeyULMJOODXBOSQBE-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.08
Rot. Bonds6

About N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide

N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide (PubChem CID 134581165) has the molecular formula C21H24F2N2O3S and a molecular weight of 422.50 g/mol. Its IUPAC name is N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide
PubChem CID134581165
Molecular FormulaC21H24F2N2O3S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC NameN'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide
SMILESCc1cc(-c2cccc(F)c2)cc(C(=O)NNS(=O)(=O)CC2CCCCC2)c1F
InChIInChI=1S/C21H24F2N2O3S/c1-14-10-17(16-8-5-9-18(22)11-16)12-19(20(14)23)21(26)24-25-29(27,28)13-15-6-3-2-4-7-15/h5,8-12,15,25H,2-4,6-7,13H2,1H3,(H,24,26)
InChIKeyULMJOODXBOSQBE-UHFFFAOYSA-N
XLogP4.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.08
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-fluoro-5-(3-fluorophenyl)-3-methyl-N'-[(1-propanoylpiperidin-3-yl)methylsulfonyl]benzohydrazide;molecular hydrogen
CID 142366515
1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide
CID 167684328
2-fluoro-5-(3-fluorophenyl)-N'-[[1-(2-methoxyacetyl)piperidin-3-yl]methylsulfonyl]-3-methylbenzohydrazide
CID 134581061
N'-[[1-[3-(dimethylamino)propanoyl]piperidin-3-yl]methylsulfonyl]-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide
CID 134581327
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
N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide
CID 134581312
3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide
CID 134581051
3-[3-[2-(cyclohexylmethylsulfonylamino)acetyl]-4-fluoro-5-methylphenyl]-N-(2-methoxyethyl)benzamide
CID 167623424
tert-butyl N-[3-[4-[[[2-fluoro-3-methyl-5-(3-methylphenyl)benzoyl]amino]sulfamoylmethyl]piperidin-1-yl]-3-oxopropyl]-N-methylcarbamate
CID 163697266
3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide
CID 134581056

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide?
The IUPAC name of N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide (CID 134581165) is N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide.
What is the SMILES notation for N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide?
The canonical SMILES for N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide is Cc1cc(-c2cccc(F)c2)cc(C(=O)NNS(=O)(=O)CC2CCCCC2)c1F.
What is the InChIKey of N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide?
The InChIKey is ULMJOODXBOSQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3S/c1-14-10-17(16-8-5-9-18(22)11-16)12-19(20(14)23)21(26)24-25-29(27,28)13-15-6-3-2-4-7-15/h5,8-12,15,25H,2-4,6-7,13H2,1H3,(H,24,26).
What are the key properties of N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide?
N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide has a molecular weight of 422.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide is sourced from PubChem (CID 134581165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).