3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide

C15H26N2O3S — CID 107407022

IUPAC3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)NC(C)(C)C(C)O)c1
InChIInChI=1S/C15H26N2O3S/c1-6-11-8-13(16)12(7-2)14(9-11)21(19,20)17-15(4,5)10(3)18/h8-10,17-18H,6-7,16H2,1-5H3
InChIKeyGRLGOVPQFPWZJS-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.83
Rot. Bonds6

About 3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide

3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 107407022) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
PubChem CID107407022
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)NC(C)(C)C(C)O)c1
InChIInChI=1S/C15H26N2O3S/c1-6-11-8-13(16)12(7-2)14(9-11)21(19,20)17-15(4,5)10(3)18/h8-10,17-18H,6-7,16H2,1-5H3
InChIKeyGRLGOVPQFPWZJS-UHFFFAOYSA-N
XLogP1.83
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3,3-dimethylbutyl)-2,5-diethylbenzenesulfonamide
CID 107407026
3-amino-2,5-diethyl-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 107406919
3-amino-2,5-diethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 107405715
3-amino-2,5-diethyl-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 107407018
2-[(3-amino-2,5-diethylphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 107405776
3-amino-2,5-diethyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 107406972
3-amino-N-(2-cyclobutylethyl)-2,5-diethylbenzenesulfonamide
CID 107406958
2-(3-amino-2,5-diethylphenyl)sulfonylguanidine
CID 107407059
3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 107405806
3-amino-2,5-diethyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 107406932
3-amino-N-(cyclopentylmethyl)-2,5-diethylbenzenesulfonamide
CID 107405777
3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 107406911

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide (CID 107407022) is 3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide is CCc1cc(N)c(CC)c(S(=O)(=O)NC(C)(C)C(C)O)c1.
What is the InChIKey of 3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is GRLGOVPQFPWZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-6-11-8-13(16)12(7-2)14(9-11)21(19,20)17-15(4,5)10(3)18/h8-10,17-18H,6-7,16H2,1-5H3.
What are the key properties of 3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide?
3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-diethyl-N-(3-hydroxy-2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 107407022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).