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

C12H20N2O3S — CID 113468571

IUPAC4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C12H20N2O3S/c1-3-14(7-4-8-15)18(16,17)11-5-6-12(13)10(2)9-11/h5-6,9,15H,3-4,7-8,13H2,1-2H3
InChIKeyUHTDGDBXRYJFNX-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.97
Rot. Bonds6

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

4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide (PubChem CID 113468571) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide
PubChem CID113468571
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C12H20N2O3S/c1-3-14(7-4-8-15)18(16,17)11-5-6-12(13)10(2)9-11/h5-6,9,15H,3-4,7-8,13H2,1-2H3
InChIKeyUHTDGDBXRYJFNX-UHFFFAOYSA-N
XLogP0.97
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.97
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)benzenesulfonamide
CID 113431290
N-ethyl-N-(3-hydroxypropyl)naphthalene-2-sulfonamide
CID 115755343
4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
CID 114230037
N-ethyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422373
3-amino-N-ethyl-5-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 113468559
3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102991016
3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755430
4-[2-(diethylamino)ethylsulfonyl]-2-methylaniline
CID 81182264
3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide
CID 43268301
4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide
CID 60707695
3-amino-N-butyl-N-ethyl-4-nitrobenzenesulfonamide
CID 82855298
N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 14386909

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide (CID 113468571) is 4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide is CCN(CCCO)S(=O)(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide?
The InChIKey is UHTDGDBXRYJFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-14(7-4-8-15)18(16,17)11-5-6-12(13)10(2)9-11/h5-6,9,15H,3-4,7-8,13H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide?
4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.97, 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)-3-methylbenzenesulfonamide is sourced from PubChem (CID 113468571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).