2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide

C10H16N2O3S — CID 60980494

IUPAC2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C10H16N2O3S/c1-2-12(7-8-13)16(14,15)10-6-4-3-5-9(10)11/h3-6,13H,2,7-8,11H2,1H3
InChIKeyIMCAZVOFNGKIBY-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.27
Rot. Bonds5

About 2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide

2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 60980494) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID60980494
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C10H16N2O3S/c1-2-12(7-8-13)16(14,15)10-6-4-3-5-9(10)11/h3-6,13H,2,7-8,11H2,1H3
InChIKeyIMCAZVOFNGKIBY-UHFFFAOYSA-N
XLogP0.27
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.27
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

2-amino-N,N-dipropylbenzenesulfonamide
CID 16783844
2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79380463
N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957801
2-chloro-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957799
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937
2-[(2-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114465
2-(3-aminoprop-1-ynyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54880356
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 54879902
5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide
CID 104850383
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61125699

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide (CID 60980494) is 2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide is CCN(CCO)S(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is IMCAZVOFNGKIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-2-12(7-8-13)16(14,15)10-6-4-3-5-9(10)11/h3-6,13H,2,7-8,11H2,1H3.
What are the key properties of 2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 60980494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).