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

C13H23N3O3S — CID 106284293

IUPAC2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide
SMILESCCC(CC)C(O)CNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C13H23N3O3S/c1-3-9(4-2)11(17)8-16-10-6-5-7-12(13(10)14)20(15,18)19/h5-7,9,11,16-17H,3-4,8,14H2,1-2H3,(H2,15,18,19)
InChIKeySNLNXGVETSZFOM-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.13
Rot. Bonds7

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

2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide (PubChem CID 106284293) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide
PubChem CID106284293
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide
SMILESCCC(CC)C(O)CNc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C13H23N3O3S/c1-3-9(4-2)11(17)8-16-10-6-5-7-12(13(10)14)20(15,18)19/h5-7,9,11,16-17H,3-4,8,14H2,1-2H3,(H2,15,18,19)
InChIKeySNLNXGVETSZFOM-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

2-amino-3-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102903616
2-amino-3-(2,3-dimethylbutylamino)benzenesulfonamide
CID 112674946
5-amino-3-[(3-ethyl-2-hydroxypentyl)amino]-2-methylbenzenesulfonamide
CID 106284357
2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide
CID 106287402
4-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide
CID 106284247
4-[(3-ethyl-2-hydroxypentyl)amino]-3-fluorobenzenesulfonamide
CID 106287531
2-(2-methylbutylamino)benzenesulfonamide
CID 62692672
2-(2-amino-3-sulfamoylanilino)-N-methylacetamide
CID 112674675
2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 115992788
2-amino-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 112674920
2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
CID 112674911
2-amino-3-(tert-butylamino)benzenesulfonamide
CID 112674632

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide (CID 106284293) is 2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide is CCC(CC)C(O)CNc1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide?
The InChIKey is SNLNXGVETSZFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-9(4-2)11(17)8-16-10-6-5-7-12(13(10)14)20(15,18)19/h5-7,9,11,16-17H,3-4,8,14H2,1-2H3,(H2,15,18,19).
What are the key properties of 2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide?
2-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 2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide is sourced from PubChem (CID 106284293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).