N'-cyclohexylsulfonyl-2-fluorobenzohydrazide

C13H17FN2O3S — CID 134581334

IUPACN'-cyclohexylsulfonyl-2-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)C1CCCCC1)c1ccccc1F
InChIInChI=1S/C13H17FN2O3S/c14-12-9-5-4-8-11(12)13(17)15-16-20(18,19)10-6-2-1-3-7-10/h4-5,8-10,16H,1-3,6-7H2,(H,15,17)
InChIKeyCXLJNUBPEAPLRM-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.72
Rot. Bonds4

About N'-cyclohexylsulfonyl-2-fluorobenzohydrazide

N'-cyclohexylsulfonyl-2-fluorobenzohydrazide (PubChem CID 134581334) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is N'-cyclohexylsulfonyl-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-cyclohexylsulfonyl-2-fluorobenzohydrazide
PubChem CID134581334
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN'-cyclohexylsulfonyl-2-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)C1CCCCC1)c1ccccc1F
InChIInChI=1S/C13H17FN2O3S/c14-12-9-5-4-8-11(12)13(17)15-16-20(18,19)10-6-2-1-3-7-10/h4-5,8-10,16H,1-3,6-7H2,(H,15,17)
InChIKeyCXLJNUBPEAPLRM-UHFFFAOYSA-N
XLogP1.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.72
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'-cyclohexylsulfonyl-2-fluorobenzohydrazide?
The IUPAC name of N'-cyclohexylsulfonyl-2-fluorobenzohydrazide (CID 134581334) is N'-cyclohexylsulfonyl-2-fluorobenzohydrazide.
What is the SMILES notation for N'-cyclohexylsulfonyl-2-fluorobenzohydrazide?
The canonical SMILES for N'-cyclohexylsulfonyl-2-fluorobenzohydrazide is O=C(NNS(=O)(=O)C1CCCCC1)c1ccccc1F.
What is the InChIKey of N'-cyclohexylsulfonyl-2-fluorobenzohydrazide?
The InChIKey is CXLJNUBPEAPLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c14-12-9-5-4-8-11(12)13(17)15-16-20(18,19)10-6-2-1-3-7-10/h4-5,8-10,16H,1-3,6-7H2,(H,15,17).
What are the key properties of N'-cyclohexylsulfonyl-2-fluorobenzohydrazide?
N'-cyclohexylsulfonyl-2-fluorobenzohydrazide has a molecular weight of 300.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexylsulfonyl-2-fluorobenzohydrazide is sourced from PubChem (CID 134581334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).