4-butoxybenzenesulfonamide

C10H15NO3S — CID 2049187

IUPAC4-butoxybenzenesulfonamide
SMILESCCCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H15NO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3,(H2,11,12,13)
InChIKeyGJCVWKPGGOMFQR-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.51
Rot. Bonds5

About 4-butoxybenzenesulfonamide

4-butoxybenzenesulfonamide (PubChem CID 2049187) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-butoxybenzenesulfonamide.

Molecular Properties

Compound Name4-butoxybenzenesulfonamide
PubChem CID2049187
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name4-butoxybenzenesulfonamide
SMILESCCCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H15NO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3,(H2,11,12,13)
InChIKeyGJCVWKPGGOMFQR-UHFFFAOYSA-N
XLogP1.51
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.51
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-butoxybenzenesulfonamide?
The IUPAC name of 4-butoxybenzenesulfonamide (CID 2049187) is 4-butoxybenzenesulfonamide.
What is the SMILES notation for 4-butoxybenzenesulfonamide?
The canonical SMILES for 4-butoxybenzenesulfonamide is CCCCOc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-butoxybenzenesulfonamide?
The InChIKey is GJCVWKPGGOMFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3,(H2,11,12,13).
What are the key properties of 4-butoxybenzenesulfonamide?
4-butoxybenzenesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxybenzenesulfonamide is sourced from PubChem (CID 2049187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).