N-cyclooctyl-4-fluorobenzenesulfonamide

C14H20FNO2S — CID 873800

IUPACN-cyclooctyl-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c15-12-8-10-14(11-9-12)19(17,18)16-13-6-4-2-1-3-5-7-13/h8-11,13,16H,1-7H2
InChIKeyUVXHZXDUBCCNBS-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.22
Rot. Bonds3

About N-cyclooctyl-4-fluorobenzenesulfonamide

N-cyclooctyl-4-fluorobenzenesulfonamide (PubChem CID 873800) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-cyclooctyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-4-fluorobenzenesulfonamide
PubChem CID873800
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC NameN-cyclooctyl-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c15-12-8-10-14(11-9-12)19(17,18)16-13-6-4-2-1-3-5-7-13/h8-11,13,16H,1-7H2
InChIKeyUVXHZXDUBCCNBS-UHFFFAOYSA-N
XLogP3.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-fluorobenzenesulfonamide?
The IUPAC name of N-cyclooctyl-4-fluorobenzenesulfonamide (CID 873800) is N-cyclooctyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-cyclooctyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-cyclooctyl-4-fluorobenzenesulfonamide is O=S(=O)(NC1CCCCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-cyclooctyl-4-fluorobenzenesulfonamide?
The InChIKey is UVXHZXDUBCCNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c15-12-8-10-14(11-9-12)19(17,18)16-13-6-4-2-1-3-5-7-13/h8-11,13,16H,1-7H2.
What are the key properties of N-cyclooctyl-4-fluorobenzenesulfonamide?
N-cyclooctyl-4-fluorobenzenesulfonamide has a molecular weight of 285.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 873800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).