4-(4-hydroxybutylsulfanyl)benzenesulfonamide

C10H15NO3S2 — CID 15707346

IUPAC4-(4-hydroxybutylsulfanyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(SCCCCO)cc1
InChIInChI=1S/C10H15NO3S2/c11-16(13,14)10-5-3-9(4-6-10)15-8-2-1-7-12/h3-6,12H,1-2,7-8H2,(H2,11,13,14)
InChIKeyWDXVDWRSYOFRBP-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.20
Rot. Bonds6

About 4-(4-hydroxybutylsulfanyl)benzenesulfonamide

4-(4-hydroxybutylsulfanyl)benzenesulfonamide (PubChem CID 15707346) has the molecular formula C10H15NO3S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(4-hydroxybutylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-hydroxybutylsulfanyl)benzenesulfonamide
PubChem CID15707346
Molecular FormulaC10H15NO3S2
Molecular Weight261.37 g/mol
Exact Mass261.05
IUPAC Name4-(4-hydroxybutylsulfanyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(SCCCCO)cc1
InChIInChI=1S/C10H15NO3S2/c11-16(13,14)10-5-3-9(4-6-10)15-8-2-1-7-12/h3-6,12H,1-2,7-8H2,(H2,11,13,14)
InChIKeyWDXVDWRSYOFRBP-UHFFFAOYSA-N
XLogP1.20
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.20
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-hydroxybutylsulfanyl)benzenesulfonamide?
The IUPAC name of 4-(4-hydroxybutylsulfanyl)benzenesulfonamide (CID 15707346) is 4-(4-hydroxybutylsulfanyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-hydroxybutylsulfanyl)benzenesulfonamide?
The canonical SMILES for 4-(4-hydroxybutylsulfanyl)benzenesulfonamide is NS(=O)(=O)c1ccc(SCCCCO)cc1.
What is the InChIKey of 4-(4-hydroxybutylsulfanyl)benzenesulfonamide?
The InChIKey is WDXVDWRSYOFRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S2/c11-16(13,14)10-5-3-9(4-6-10)15-8-2-1-7-12/h3-6,12H,1-2,7-8H2,(H2,11,13,14).
What are the key properties of 4-(4-hydroxybutylsulfanyl)benzenesulfonamide?
4-(4-hydroxybutylsulfanyl)benzenesulfonamide has a molecular weight of 261.37 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 15707346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).