3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

C14H24N2O3S — CID 79382428

IUPAC3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CC)CC(C)(C)O)cc1N
InChIInChI=1S/C14H24N2O3S/c1-5-11-7-8-12(9-13(11)15)20(18,19)16(6-2)10-14(3,4)17/h7-9,17H,5-6,10,15H2,1-4H3
InChIKeyFFACEEZKOWMZQW-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.61
Rot. Bonds6

About 3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (PubChem CID 79382428) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
PubChem CID79382428
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N(CC)CC(C)(C)O)cc1N
InChIInChI=1S/C14H24N2O3S/c1-5-11-7-8-12(9-13(11)15)20(18,19)16(6-2)10-14(3,4)17/h7-9,17H,5-6,10,15H2,1-4H3
InChIKeyFFACEEZKOWMZQW-UHFFFAOYSA-N
XLogP1.61
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide
CID 81438560
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 79377211
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79380463
4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzenecarbothioamide
CID 79376789
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 79378419
3-(1-aminopropyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79378974
1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
CID 79381244
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propanoylbenzenesulfonamide
CID 79379246
methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378667
5-amino-4-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114625910
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-methylbenzenesulfonamide
CID 79382041
4-(cyanomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79387338

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (CID 79382428) is 3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)N(CC)CC(C)(C)O)cc1N.
What is the InChIKey of 3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is FFACEEZKOWMZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-11-7-8-12(9-13(11)15)20(18,19)16(6-2)10-14(3,4)17/h7-9,17H,5-6,10,15H2,1-4H3.
What are the key properties of 3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,4-diethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 79382428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).