3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide

C16H22ClFN2O3S — CID 134581056

IUPAC3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide
SMILESCCc1cc(Cl)c(F)c(C(=O)NNS(=O)(=O)CC2CCCCC2)c1
InChIInChI=1S/C16H22ClFN2O3S/c1-2-11-8-13(15(18)14(17)9-11)16(21)19-20-24(22,23)10-12-6-4-3-5-7-12/h8-9,12,20H,2-7,10H2,1H3,(H,19,21)
InChIKeyNSIGDEYANXEKGH-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.19
Rot. Bonds6

About 3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide

3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide (PubChem CID 134581056) has the molecular formula C16H22ClFN2O3S and a molecular weight of 376.88 g/mol. Its IUPAC name is 3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide
PubChem CID134581056
Molecular FormulaC16H22ClFN2O3S
Molecular Weight376.88 g/mol
Exact Mass376.10
IUPAC Name3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide
SMILESCCc1cc(Cl)c(F)c(C(=O)NNS(=O)(=O)CC2CCCCC2)c1
InChIInChI=1S/C16H22ClFN2O3S/c1-2-11-8-13(15(18)14(17)9-11)16(21)19-20-24(22,23)10-12-6-4-3-5-7-12/h8-9,12,20H,2-7,10H2,1H3,(H,19,21)
InChIKeyNSIGDEYANXEKGH-UHFFFAOYSA-N
XLogP3.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.19
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

3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide
CID 134581051
N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide
CID 134581165
N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide
CID 167570071
N-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
CID 167671598
5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide
CID 134581318
2-fluoro-3-methyl-N'-[(1-methylpiperidin-3-yl)methylsulfonyl]-5-phenylbenzohydrazide
CID 134581224
N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide
CID 167624082
2-fluoro-N'-[[1-(2-hydroxyethyl)piperidin-4-yl]methylsulfonyl]-3-methyl-5-phenylbenzohydrazide
CID 134581031
3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide
CID 134581457
2-fluoro-N'-[[1-(2-methoxyacetyl)piperidin-4-yl]methylsulfonyl]-3-methyl-5-phenylbenzohydrazide
CID 134581034
5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide
CID 65388548
5-chloro-3-(cyclohexylmethylsulfonyl)-2-fluorobenzoic acid
CID 43323203

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide?
The IUPAC name of 3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide (CID 134581056) is 3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide.
What is the SMILES notation for 3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide?
The canonical SMILES for 3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide is CCc1cc(Cl)c(F)c(C(=O)NNS(=O)(=O)CC2CCCCC2)c1.
What is the InChIKey of 3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide?
The InChIKey is NSIGDEYANXEKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O3S/c1-2-11-8-13(15(18)14(17)9-11)16(21)19-20-24(22,23)10-12-6-4-3-5-7-12/h8-9,12,20H,2-7,10H2,1H3,(H,19,21).
What are the key properties of 3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide?
3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide has a molecular weight of 376.88 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide is sourced from PubChem (CID 134581056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).