4-hexoxybenzenesulfonamide

C12H19NO3S — CID 23274642

IUPAC4-hexoxybenzenesulfonamide
SMILESCCCCCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19NO3S/c1-2-3-4-5-10-16-11-6-8-12(9-7-11)17(13,14)15/h6-9H,2-5,10H2,1H3,(H2,13,14,15)
InChIKeyLKDKSKQJCGTOCA-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.29
Rot. Bonds7

About 4-hexoxybenzenesulfonamide

4-hexoxybenzenesulfonamide (PubChem CID 23274642) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 4-hexoxybenzenesulfonamide.

Molecular Properties

Compound Name4-hexoxybenzenesulfonamide
PubChem CID23274642
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name4-hexoxybenzenesulfonamide
SMILESCCCCCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H19NO3S/c1-2-3-4-5-10-16-11-6-8-12(9-7-11)17(13,14)15/h6-9H,2-5,10H2,1H3,(H2,13,14,15)
InChIKeyLKDKSKQJCGTOCA-UHFFFAOYSA-N
XLogP2.29
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.29
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-hexoxybenzenesulfonamide?
The IUPAC name of 4-hexoxybenzenesulfonamide (CID 23274642) is 4-hexoxybenzenesulfonamide.
What is the SMILES notation for 4-hexoxybenzenesulfonamide?
The canonical SMILES for 4-hexoxybenzenesulfonamide is CCCCCCOc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-hexoxybenzenesulfonamide?
The InChIKey is LKDKSKQJCGTOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-2-3-4-5-10-16-11-6-8-12(9-7-11)17(13,14)15/h6-9H,2-5,10H2,1H3,(H2,13,14,15).
What are the key properties of 4-hexoxybenzenesulfonamide?
4-hexoxybenzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxybenzenesulfonamide is sourced from PubChem (CID 23274642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).