3,5-dichloro-N'-cyclohexylsulfonyl-2-fluorobenzohydrazide

C13H15Cl2FN2O3S — CID 134581049

IUPAC3,5-dichloro-N'-cyclohexylsulfonyl-2-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)C1CCCCC1)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C13H15Cl2FN2O3S/c14-8-6-10(12(16)11(15)7-8)13(19)17-18-22(20,21)9-4-2-1-3-5-9/h6-7,9,18H,1-5H2,(H,17,19)
InChIKeyJSQUWGGGBPPCSP-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.03
Rot. Bonds4

About 3,5-dichloro-N'-cyclohexylsulfonyl-2-fluorobenzohydrazide

3,5-dichloro-N'-cyclohexylsulfonyl-2-fluorobenzohydrazide (PubChem CID 134581049) has the molecular formula C13H15Cl2FN2O3S and a molecular weight of 369.25 g/mol. Its IUPAC name is 3,5-dichloro-N'-cyclohexylsulfonyl-2-fluorobenzohydrazide.

Molecular Properties

Compound Name3,5-dichloro-N'-cyclohexylsulfonyl-2-fluorobenzohydrazide
PubChem CID134581049
Molecular FormulaC13H15Cl2FN2O3S
Molecular Weight369.25 g/mol
Exact Mass368.02
IUPAC Name3,5-dichloro-N'-cyclohexylsulfonyl-2-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)C1CCCCC1)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C13H15Cl2FN2O3S/c14-8-6-10(12(16)11(15)7-8)13(19)17-18-22(20,21)9-4-2-1-3-5-9/h6-7,9,18H,1-5H2,(H,17,19)
InChIKeyJSQUWGGGBPPCSP-UHFFFAOYSA-N
XLogP3.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N'-cyclohexylsulfonyl-2-fluorobenzohydrazide?
The IUPAC name of 3,5-dichloro-N'-cyclohexylsulfonyl-2-fluorobenzohydrazide (CID 134581049) is 3,5-dichloro-N'-cyclohexylsulfonyl-2-fluorobenzohydrazide.
What is the SMILES notation for 3,5-dichloro-N'-cyclohexylsulfonyl-2-fluorobenzohydrazide?
The canonical SMILES for 3,5-dichloro-N'-cyclohexylsulfonyl-2-fluorobenzohydrazide is O=C(NNS(=O)(=O)C1CCCCC1)c1cc(Cl)cc(Cl)c1F.
What is the InChIKey of 3,5-dichloro-N'-cyclohexylsulfonyl-2-fluorobenzohydrazide?
The InChIKey is JSQUWGGGBPPCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2FN2O3S/c14-8-6-10(12(16)11(15)7-8)13(19)17-18-22(20,21)9-4-2-1-3-5-9/h6-7,9,18H,1-5H2,(H,17,19).
What are the key properties of 3,5-dichloro-N'-cyclohexylsulfonyl-2-fluorobenzohydrazide?
3,5-dichloro-N'-cyclohexylsulfonyl-2-fluorobenzohydrazide has a molecular weight of 369.25 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N'-cyclohexylsulfonyl-2-fluorobenzohydrazide is sourced from PubChem (CID 134581049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).