5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide

C13H23N3O3S — CID 106348379

IUPAC5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide
SMILESCC(C)(C)C(CCO)Nc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C13H23N3O3S/c1-13(2,3)12(6-7-17)16-10-5-4-9(14)8-11(10)20(15,18)19/h4-5,8,12,16-17H,6-7,14H2,1-3H3,(H2,15,18,19)
InChIKeyGGVPMXCNMFEJED-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.13
Rot. Bonds5

About 5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide

5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide (PubChem CID 106348379) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide
PubChem CID106348379
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide
SMILESCC(C)(C)C(CCO)Nc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C13H23N3O3S/c1-13(2,3)12(6-7-17)16-10-5-4-9(14)8-11(10)20(15,18)19/h4-5,8,12,16-17H,6-7,14H2,1-3H3,(H2,15,18,19)
InChIKeyGGVPMXCNMFEJED-UHFFFAOYSA-N
XLogP1.13
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.13
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-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83177707
3-(4-amino-2-bromoanilino)-4,4-dimethylpentan-1-ol
CID 106348344
5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide
CID 113472684
3-(2-amino-4-chloroanilino)-4,4-dimethylpentan-1-ol
CID 106348362
3-(2-aminoanilino)-4,4-dimethylpentan-1-ol
CID 106348387
5-amino-2-(2-ethylhexylamino)benzenesulfonamide
CID 107819806
2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347919
5-amino-2-(7-methyloctylamino)benzenesulfonamide
CID 107814721
5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide
CID 83013156
5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide
CID 107643436
2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83188457
3-(2-amino-4-fluoro-5-methylanilino)-4,4-dimethylpentan-1-ol
CID 106348410

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide?
The IUPAC name of 5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide (CID 106348379) is 5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide is CC(C)(C)C(CCO)Nc1ccc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide?
The InChIKey is GGVPMXCNMFEJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-13(2,3)12(6-7-17)16-10-5-4-9(14)8-11(10)20(15,18)19/h4-5,8,12,16-17H,6-7,14H2,1-3H3,(H2,15,18,19).
What are the key properties of 5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide?
5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 106348379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).