3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide

C12H20N2O4S — CID 82941344

IUPAC3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C12H20N2O4S/c1-2-7-18-8-3-6-14-19(16,17)10-4-5-12(15)11(13)9-10/h4-5,9,14-15H,2-3,6-8,13H2,1H3
InChIKeyRUQUAXZMXZPQGV-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.07
Rot. Bonds8

About 3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide

3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide (PubChem CID 82941344) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide
PubChem CID82941344
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C12H20N2O4S/c1-2-7-18-8-3-6-14-19(16,17)10-4-5-12(15)11(13)9-10/h4-5,9,14-15H,2-3,6-8,13H2,1H3
InChIKeyRUQUAXZMXZPQGV-UHFFFAOYSA-N
XLogP1.07
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-hydroxy-N-pentylbenzenesulfonamide
CID 29051411
2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 82940283
3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333265
3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 53405187
3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840203
2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide
CID 82946971
3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345879
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
2-iodo-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 103962665
N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3728268
N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3870575
3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 43258870

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide (CID 82941344) is 3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide is CCCOCCCNS(=O)(=O)c1ccc(O)c(N)c1.
What is the InChIKey of 3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide?
The InChIKey is RUQUAXZMXZPQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-2-7-18-8-3-6-14-19(16,17)10-4-5-12(15)11(13)9-10/h4-5,9,14-15H,2-3,6-8,13H2,1H3.
What are the key properties of 3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide?
3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 1.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide is sourced from PubChem (CID 82941344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).