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

C10H16N2O4S — CID 106840203

IUPAC3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCCCO)ccc1O
InChIInChI=1S/C10H16N2O4S/c11-9-7-8(3-4-10(9)14)17(15,16)12-5-1-2-6-13/h3-4,7,12-14H,1-2,5-6,11H2
InChIKeyXMNAVHJMHJXVJL-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.03
Rot. Bonds6

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

3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide (PubChem CID 106840203) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide
PubChem CID106840203
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCCCO)ccc1O
InChIInChI=1S/C10H16N2O4S/c11-9-7-8(3-4-10(9)14)17(15,16)12-5-1-2-6-13/h3-4,7,12-14H,1-2,5-6,11H2
InChIKeyXMNAVHJMHJXVJL-UHFFFAOYSA-N
XLogP0.03
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.03
H-Bond Donors ≤ 54
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-(2-hydroxyethyl)benzenesulfonamide
CID 43345879
3-amino-4-hydroxy-N-pentylbenzenesulfonamide
CID 29051411
3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333265
3-amino-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 107843502
3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941344
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61237820
3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 53405187
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348206
4-[(3-amino-4-hydroxyphenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79376745
3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide
CID 64568806

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide (CID 106840203) is 3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCCCCO)ccc1O.
What is the InChIKey of 3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide?
The InChIKey is XMNAVHJMHJXVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c11-9-7-8(3-4-10(9)14)17(15,16)12-5-1-2-6-13/h3-4,7,12-14H,1-2,5-6,11H2.
What are the key properties of 3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide?
3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide has a molecular weight of 260.31 g/mol, XLogP of 0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 106840203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).