4-octoxybenzenesulfonamide

C14H23NO3S — CID 43342482

IUPAC4-octoxybenzenesulfonamide
SMILESCCCCCCCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-2-3-4-5-6-7-12-18-13-8-10-14(11-9-13)19(15,16)17/h8-11H,2-7,12H2,1H3,(H2,15,16,17)
InChIKeyHJGGSWNOTGUVLF-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.07
Rot. Bonds9

About 4-octoxybenzenesulfonamide

4-octoxybenzenesulfonamide (PubChem CID 43342482) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-octoxybenzenesulfonamide.

Molecular Properties

Compound Name4-octoxybenzenesulfonamide
PubChem CID43342482
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name4-octoxybenzenesulfonamide
SMILESCCCCCCCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-2-3-4-5-6-7-12-18-13-8-10-14(11-9-13)19(15,16)17/h8-11H,2-7,12H2,1H3,(H2,15,16,17)
InChIKeyHJGGSWNOTGUVLF-UHFFFAOYSA-N
XLogP3.07
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-octoxybenzenesulfonamide?
The IUPAC name of 4-octoxybenzenesulfonamide (CID 43342482) is 4-octoxybenzenesulfonamide.
What is the SMILES notation for 4-octoxybenzenesulfonamide?
The canonical SMILES for 4-octoxybenzenesulfonamide is CCCCCCCCOc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-octoxybenzenesulfonamide?
The InChIKey is HJGGSWNOTGUVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-2-3-4-5-6-7-12-18-13-8-10-14(11-9-13)19(15,16)17/h8-11H,2-7,12H2,1H3,(H2,15,16,17).
What are the key properties of 4-octoxybenzenesulfonamide?
4-octoxybenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octoxybenzenesulfonamide is sourced from PubChem (CID 43342482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).