N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide

C11H17NO4S — CID 106843929

IUPACN-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCCCO
InChIInChI=1S/C11H17NO4S/c1-16-10-6-2-3-7-11(10)17(14,15)12-8-4-5-9-13/h2-3,6-7,12-13H,4-5,8-9H2,1H3
InChIKeyYHTRAVVAHZMWGY-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.75
Rot. Bonds7

About N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide

N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide (PubChem CID 106843929) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
PubChem CID106843929
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC NameN-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCCCO
InChIInChI=1S/C11H17NO4S/c1-16-10-6-2-3-7-11(10)17(14,15)12-8-4-5-9-13/h2-3,6-7,12-13H,4-5,8-9H2,1H3
InChIKeyYHTRAVVAHZMWGY-UHFFFAOYSA-N
XLogP0.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.75
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

N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
CID 47104251
methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639551
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid
CID 106840483
2-(4-fluorophenyl)-N-(4-hydroxybutyl)benzenesulfonamide
CID 11638382
N-(5-hydroxypentyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 107319404
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide (CID 106843929) is N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCCCCO.
What is the InChIKey of N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide?
The InChIKey is YHTRAVVAHZMWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-16-10-6-2-3-7-11(10)17(14,15)12-8-4-5-9-13/h2-3,6-7,12-13H,4-5,8-9H2,1H3.
What are the key properties of N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide?
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 106843929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).