N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide

C14H20FNO3S — CID 850125

IUPACN-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NC2CCCCC2)ccc1F
InChIInChI=1S/C14H20FNO3S/c1-2-19-14-10-12(8-9-13(14)15)20(17,18)16-11-6-4-3-5-7-11/h8-11,16H,2-7H2,1H3
InChIKeySOHRTZOOFXYVGN-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.84
Rot. Bonds5

About N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide

N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide (PubChem CID 850125) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide
PubChem CID850125
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC NameN-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NC2CCCCC2)ccc1F
InChIInChI=1S/C14H20FNO3S/c1-2-19-14-10-12(8-9-13(14)15)20(17,18)16-11-6-4-3-5-7-11/h8-11,16H,2-7H2,1H3
InChIKeySOHRTZOOFXYVGN-UHFFFAOYSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide?
The IUPAC name of N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide (CID 850125) is N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide is CCOc1cc(S(=O)(=O)NC2CCCCC2)ccc1F.
What is the InChIKey of N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide?
The InChIKey is SOHRTZOOFXYVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-2-19-14-10-12(8-9-13(14)15)20(17,18)16-11-6-4-3-5-7-11/h8-11,16H,2-7H2,1H3.
What are the key properties of N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide?
N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-ethoxy-4-fluorobenzenesulfonamide is sourced from PubChem (CID 850125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).