6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide

C12H20N2O3S — CID 54880006

IUPAC6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C12H20N2O3S/c1-4-14(7-8-15)18(16,17)12-10(3)9(2)5-6-11(12)13/h5-6,15H,4,7-8,13H2,1-3H3
InChIKeyUGQRLLJEKUCELR-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.89
Rot. Bonds5

About 6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide

6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 54880006) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide
PubChem CID54880006
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1c(N)ccc(C)c1C
InChIInChI=1S/C12H20N2O3S/c1-4-14(7-8-15)18(16,17)12-10(3)9(2)5-6-11(12)13/h5-6,15H,4,7-8,13H2,1-3H3
InChIKeyUGQRLLJEKUCELR-UHFFFAOYSA-N
XLogP0.89
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.89
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

3-amino-N-(2-cyanoethyl)-N-ethyl-2,6-dimethylbenzenesulfonamide
CID 61138899
6-amino-2,3-dimethyl-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 61112900
3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-propylbenzenesulfonamide
CID 106504018
5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 54879902
6-amino-N-butyl-N,2,3-trimethylbenzenesulfonamide
CID 43258017
2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60980494
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107327891
3-amino-N-ethyl-2,6-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79477818
4-amino-2,6-dibromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54880030
6-amino-N-(2-cyanoethyl)-2,3-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 61139759
4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 113468571
3-amino-N-(2-hydroxyethyl)-2,5,6-trimethyl-N-prop-2-enylbenzenesulfonamide
CID 106505409

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide (CID 54880006) is 6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide is CCN(CCO)S(=O)(=O)c1c(N)ccc(C)c1C.
What is the InChIKey of 6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is UGQRLLJEKUCELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-14(7-8-15)18(16,17)12-10(3)9(2)5-6-11(12)13/h5-6,15H,4,7-8,13H2,1-3H3.
What are the key properties of 6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide?
6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 54880006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).