4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide

C11H18N2O3S — CID 113431290

IUPAC4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H18N2O3S/c1-2-13(8-3-9-14)17(15,16)11-6-4-10(12)5-7-11/h4-7,14H,2-3,8-9,12H2,1H3
InChIKeyGYDFNPISOWSXKZ-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.66
Rot. Bonds6

About 4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide

4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 113431290) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID113431290
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H18N2O3S/c1-2-13(8-3-9-14)17(15,16)11-6-4-10(12)5-7-11/h4-7,14H,2-3,8-9,12H2,1H3
InChIKeyGYDFNPISOWSXKZ-UHFFFAOYSA-N
XLogP0.66
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 113468571
4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 43119905
3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 113468559
N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 14386909
N-ethyl-N-(3-hydroxypropyl)naphthalene-2-sulfonamide
CID 115755343
4-[[(4-aminophenyl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 171536135
4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791222
3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755430
4-(1-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879790
N-ethyl-4-hydroxy-N-propylbenzenesulfonamide
CID 43269048
N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide
CID 60979848
2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide
CID 141159834

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide (CID 113431290) is 4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide is CCN(CCCO)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is GYDFNPISOWSXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-2-13(8-3-9-14)17(15,16)11-6-4-10(12)5-7-11/h4-7,14H,2-3,8-9,12H2,1H3.
What are the key properties of 4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide?
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 113431290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).