2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide

C11H17NO4S — CID 81246026

IUPAC2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
SMILESCOCCCN(C)S(=O)(=O)c1ccccc1O
InChIInChI=1S/C11H17NO4S/c1-12(8-5-9-16-2)17(14,15)11-7-4-3-6-10(11)13/h3-4,6-7,13H,5,8-9H2,1-2H3
InChIKeyIXDWFFHNAIMGDT-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.05
Rot. Bonds6

About 2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide

2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide (PubChem CID 81246026) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
PubChem CID81246026
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
SMILESCOCCCN(C)S(=O)(=O)c1ccccc1O
InChIInChI=1S/C11H17NO4S/c1-12(8-5-9-16-2)17(14,15)11-7-4-3-6-10(11)13/h3-4,6-7,13H,5,8-9H2,1-2H3
InChIKeyIXDWFFHNAIMGDT-UHFFFAOYSA-N
XLogP1.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-methoxypropyl(methyl)sulfamoyl]benzoic acid
CID 55140299
methyl 2-[3-methoxypropyl(methyl)sulfamoyl]benzoate
CID 103628065
N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide
CID 63009663
2-(3-hydroxyprop-1-ynyl)-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 62986078
2-amino-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61125296
3-amino-N-(3-methoxypropyl)-N-methyl-2-nitrobenzenesulfonamide
CID 115993611
4-amino-2-[3-methoxypropyl(methyl)sulfamoyl]benzoic acid
CID 102931220
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61125699
4-amino-2-chloro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 62985193
N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 47306069
2-[3-methoxypropyl(methyl)amino]phenol
CID 134473103
4-(chloromethyl)-2-fluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 79187004

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide (CID 81246026) is 2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide is COCCCN(C)S(=O)(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide?
The InChIKey is IXDWFFHNAIMGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-12(8-5-9-16-2)17(14,15)11-7-4-3-6-10(11)13/h3-4,6-7,13H,5,8-9H2,1-2H3.
What are the key properties of 2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide?
2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 81246026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).