4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide

C13H21NO4S — CID 106011750

IUPAC4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
SMILESCC(C)OCCCCNS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C13H21NO4S/c1-11(2)18-10-4-3-9-14-19(16,17)13-7-5-12(15)6-8-13/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyUDFFFOFENKTYRL-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.88
Rot. Bonds8

About 4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide

4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide (PubChem CID 106011750) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
PubChem CID106011750
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
SMILESCC(C)OCCCCNS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C13H21NO4S/c1-11(2)18-10-4-3-9-14-19(16,17)13-7-5-12(15)6-8-13/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyUDFFFOFENKTYRL-UHFFFAOYSA-N
XLogP1.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.88
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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Related Compounds

4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106037908
4-fluoro-3-(hydroxymethyl)-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106014466
4-(2-propan-2-yloxyethylsulfamoyl)benzoic acid
CID 113449953
6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide
CID 106012409
4-amino-3-methoxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106006616
3-(aminomethyl)-4-chloro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106094494
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282
2-(methylamino)-N-(4-propan-2-yloxybutyl)pyrimidine-5-sulfonamide
CID 106014818
2-(hydroxymethyl)-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106014448
5-[(4-hydroxyphenyl)sulfonylamino]pentanamide
CID 114162417
4-(aminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104759938
3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 17192279

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide (CID 106011750) is 4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide is CC(C)OCCCCNS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide?
The InChIKey is UDFFFOFENKTYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-11(2)18-10-4-3-9-14-19(16,17)13-7-5-12(15)6-8-13/h5-8,11,14-15H,3-4,9-10H2,1-2H3.
What are the key properties of 4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide?
4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide is sourced from PubChem (CID 106011750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).