4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide

C13H23N3O3S — CID 106284247

IUPAC4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide
SMILESCCC(CC)C(O)CNc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C13H23N3O3S/c1-3-9(4-2)13(17)8-16-12-7-10(20(15,18)19)5-6-11(12)14/h5-7,9,13,16-17H,3-4,8,14H2,1-2H3,(H2,15,18,19)
InChIKeyRMWIIMCCCZDGGR-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.13
Rot. Bonds7

About 4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide

4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide (PubChem CID 106284247) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide
PubChem CID106284247
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide
SMILESCCC(CC)C(O)CNc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C13H23N3O3S/c1-3-9(4-2)13(17)8-16-12-7-10(20(15,18)19)5-6-11(12)14/h5-7,9,13,16-17H,3-4,8,14H2,1-2H3,(H2,15,18,19)
InChIKeyRMWIIMCCCZDGGR-UHFFFAOYSA-N
XLogP1.13
TPSA118.44 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 ≤ 51.13
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

4-[(3-ethyl-2-hydroxypentyl)amino]-3-fluorobenzenesulfonamide
CID 106287531
1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol
CID 106284328
5-amino-3-[(3-ethyl-2-hydroxypentyl)amino]-2-methylbenzenesulfonamide
CID 106284357
2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide
CID 106284293
1-(2-amino-4-nitroanilino)-3-ethylpentan-2-ol
CID 106284232
4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 106899228
4-amino-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 114174106
4-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 82899590
4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide
CID 82907605
4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide
CID 107843856
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]benzenesulfonamide
CID 107150923
3-[2-amino-5-(methylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106166710

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide (CID 106284247) is 4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide is CCC(CC)C(O)CNc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide?
The InChIKey is RMWIIMCCCZDGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-9(4-2)13(17)8-16-12-7-10(20(15,18)19)5-6-11(12)14/h5-7,9,13,16-17H,3-4,8,14H2,1-2H3,(H2,15,18,19).
What are the key properties of 4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide?
4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.13, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide is sourced from PubChem (CID 106284247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).