5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide

C13H23N3O3S — CID 106290279

IUPAC5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide
SMILESCCCC(C)(O)CNc1ccc(N)cc1S(=O)(=O)NC
InChIInChI=1S/C13H23N3O3S/c1-4-7-13(2,17)9-16-11-6-5-10(14)8-12(11)20(18,19)15-3/h5-6,8,15-17H,4,7,9,14H2,1-3H3
InChIKeyNAVSNRLLCNDTIL-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.14
Rot. Bonds7

About 5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide

5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide (PubChem CID 106290279) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide
PubChem CID106290279
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide
SMILESCCCC(C)(O)CNc1ccc(N)cc1S(=O)(=O)NC
InChIInChI=1S/C13H23N3O3S/c1-4-7-13(2,17)9-16-11-6-5-10(14)8-12(11)20(18,19)15-3/h5-6,8,15-17H,4,7,9,14H2,1-3H3
InChIKeyNAVSNRLLCNDTIL-UHFFFAOYSA-N
XLogP1.14
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]benzenesulfonamide
CID 103287383
5-amino-2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 103287459
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
3-amino-4-[(2-hydroxy-2-methylpentyl)amino]benzenesulfonamide
CID 106290169
4-amino-2-bromo-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide
CID 106289563
4-amino-2-chloro-N-(2-hydroxy-2-methylpentyl)benzenesulfonamide
CID 106289599
5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide
CID 103286934
5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 103287457
5-amino-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-methylbenzenesulfonamide
CID 103287233
5-amino-2-[(3-hydroxycyclobutyl)methylamino]-N-methylbenzenesulfonamide
CID 103287162
2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide
CID 103286872
5-amino-2-[(4-chlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286589

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide (CID 106290279) is 5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide is CCCC(C)(O)CNc1ccc(N)cc1S(=O)(=O)NC.
What is the InChIKey of 5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is NAVSNRLLCNDTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-4-7-13(2,17)9-16-11-6-5-10(14)8-12(11)20(18,19)15-3/h5-6,8,15-17H,4,7,9,14H2,1-3H3.
What are the key properties of 5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide?
5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.14, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-hydroxy-2-methylpentyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 106290279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).