4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide

C12H19NO4S — CID 114252948

IUPAC4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide
SMILESCOCc1ccc(NS(=O)(=O)CCCCO)cc1
InChIInChI=1S/C12H19NO4S/c1-17-10-11-4-6-12(7-5-11)13-18(15,16)9-3-2-8-14/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyXSVKQBASMSAZRY-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.35
Rot. Bonds8

About 4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide

4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide (PubChem CID 114252948) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide
PubChem CID114252948
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide
SMILESCOCc1ccc(NS(=O)(=O)CCCCO)cc1
InChIInChI=1S/C12H19NO4S/c1-17-10-11-4-6-12(7-5-11)13-18(15,16)9-3-2-8-14/h4-7,13-14H,2-3,8-10H2,1H3
InChIKeyXSVKQBASMSAZRY-UHFFFAOYSA-N
XLogP1.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.35
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

3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide
CID 94685063
N-[3-(methoxymethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106002772
N-(4-bromo-3,5-dimethylphenyl)-4-hydroxybutane-1-sulfonamide
CID 114135739
N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide
CID 94688171
N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107236784
2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid
CID 114253050
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide
CID 110300131
N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide
CID 65030956
N-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide
CID 114133599
4-(2-hydroxyethylsulfonylamino)benzenesulfonamide
CID 79026491
4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide
CID 116815790
N'-hydroxy-2-[4-(2-methoxyethylsulfonylamino)phenyl]ethanimidamide
CID 76938646

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide?
The IUPAC name of 4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide (CID 114252948) is 4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide?
The canonical SMILES for 4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide is COCc1ccc(NS(=O)(=O)CCCCO)cc1.
What is the InChIKey of 4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide?
The InChIKey is XSVKQBASMSAZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-17-10-11-4-6-12(7-5-11)13-18(15,16)9-3-2-8-14/h4-7,13-14H,2-3,8-10H2,1H3.
What are the key properties of 4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide?
4-hydroxy-N-[4-(methoxymethyl)phenyl]butane-1-sulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.35, 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-(methoxymethyl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 114252948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).