3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide

C12H20N2O3S — CID 64568806

IUPAC3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide
SMILESCC(C)C(C)CNS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C12H20N2O3S/c1-8(2)9(3)7-14-18(16,17)10-4-5-12(15)11(13)6-10/h4-6,8-9,14-15H,7,13H2,1-3H3
InChIKeyMJMWGHVWCYJAHI-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.54
Rot. Bonds5

About 3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide

3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide (PubChem CID 64568806) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide
PubChem CID64568806
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide
SMILESCC(C)C(C)CNS(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C12H20N2O3S/c1-8(2)9(3)7-14-18(16,17)10-4-5-12(15)11(13)6-10/h4-6,8-9,14-15H,7,13H2,1-3H3
InChIKeyMJMWGHVWCYJAHI-UHFFFAOYSA-N
XLogP1.54
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
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-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
3-amino-4-hydroxy-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 53405187
3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840203
4-(2,3-dimethylbutylsulfamoyl)benzenecarbothioamide
CID 64597912
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411156
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
methyl 2-[(3-amino-4-hydroxyphenyl)sulfonylamino]propanoate
CID 54959326

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide (CID 64568806) is 3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide is CC(C)C(C)CNS(=O)(=O)c1ccc(O)c(N)c1.
What is the InChIKey of 3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide?
The InChIKey is MJMWGHVWCYJAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-8(2)9(3)7-14-18(16,17)10-4-5-12(15)11(13)6-10/h4-6,8-9,14-15H,7,13H2,1-3H3.
What are the key properties of 3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide?
3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 64568806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).