4-(4-aminobutoxy)benzenesulfonamide

C10H16N2O3S — CID 70226032

IUPAC4-(4-aminobutoxy)benzenesulfonamide
SMILESNCCCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H16N2O3S/c11-7-1-2-8-15-9-3-5-10(6-4-9)16(12,13)14/h3-6H,1-2,7-8,11H2,(H2,12,13,14)
InChIKeyFRXJBOBSXLTMJW-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.45
Rot. Bonds6

About 4-(4-aminobutoxy)benzenesulfonamide

4-(4-aminobutoxy)benzenesulfonamide (PubChem CID 70226032) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-(4-aminobutoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-aminobutoxy)benzenesulfonamide
PubChem CID70226032
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name4-(4-aminobutoxy)benzenesulfonamide
SMILESNCCCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H16N2O3S/c11-7-1-2-8-15-9-3-5-10(6-4-9)16(12,13)14/h3-6H,1-2,7-8,11H2,(H2,12,13,14)
InChIKeyFRXJBOBSXLTMJW-UHFFFAOYSA-N
XLogP0.45
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-aminobutoxy)benzenesulfonamide?
The IUPAC name of 4-(4-aminobutoxy)benzenesulfonamide (CID 70226032) is 4-(4-aminobutoxy)benzenesulfonamide.
What is the SMILES notation for 4-(4-aminobutoxy)benzenesulfonamide?
The canonical SMILES for 4-(4-aminobutoxy)benzenesulfonamide is NCCCCOc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(4-aminobutoxy)benzenesulfonamide?
The InChIKey is FRXJBOBSXLTMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c11-7-1-2-8-15-9-3-5-10(6-4-9)16(12,13)14/h3-6H,1-2,7-8,11H2,(H2,12,13,14).
What are the key properties of 4-(4-aminobutoxy)benzenesulfonamide?
4-(4-aminobutoxy)benzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutoxy)benzenesulfonamide is sourced from PubChem (CID 70226032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).