5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide

C12H20N2O5S — CID 106242625

IUPAC5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
SMILESCOCC(O)CCNS(=O)(=O)c1cc(N)ccc1OC
InChIInChI=1S/C12H20N2O5S/c1-18-8-10(15)5-6-14-20(16,17)12-7-9(13)3-4-11(12)19-2/h3-4,7,10,14-15H,5-6,8,13H2,1-2H3
InChIKeyKXRKJFXQJUKFLL-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.05
Rot. Bonds8

About 5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide

5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide (PubChem CID 106242625) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
PubChem CID106242625
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide
SMILESCOCC(O)CCNS(=O)(=O)c1cc(N)ccc1OC
InChIInChI=1S/C12H20N2O5S/c1-18-8-10(15)5-6-14-20(16,17)12-7-9(13)3-4-11(12)19-2/h3-4,7,10,14-15H,5-6,8,13H2,1-2H3
InChIKeyKXRKJFXQJUKFLL-UHFFFAOYSA-N
XLogP-0.05
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 64928024
4-amino-2-[(3-hydroxy-4-methoxybutyl)sulfamoyl]benzoic acid
CID 106242617
5-amino-2-[(3-hydroxy-4-methoxybutyl)sulfamoyl]benzoic acid
CID 106242569
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
CID 115324528
methyl 3-[(5-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665927
5-amino-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62635958
5-amino-3-fluoro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzenesulfonamide
CID 106242638
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
CID 103875907
5-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65049698
3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide
CID 106242536
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide (CID 106242625) is 5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide is COCC(O)CCNS(=O)(=O)c1cc(N)ccc1OC.
What is the InChIKey of 5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide?
The InChIKey is KXRKJFXQJUKFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-18-8-10(15)5-6-14-20(16,17)12-7-9(13)3-4-11(12)19-2/h3-4,7,10,14-15H,5-6,8,13H2,1-2H3.
What are the key properties of 5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide?
5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of -0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-hydroxy-4-methoxybutyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 106242625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).