5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide

C11H18N2O3S — CID 54879902

IUPAC5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C11H18N2O3S/c1-3-13(6-7-14)17(15,16)11-8-10(12)5-4-9(11)2/h4-5,8,14H,3,6-7,12H2,1-2H3
InChIKeyKPDYMVYABMCWOY-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.58
Rot. Bonds5

About 5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide

5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide (PubChem CID 54879902) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
PubChem CID54879902
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C11H18N2O3S/c1-3-13(6-7-14)17(15,16)11-8-10(12)5-4-9(11)2/h4-5,8,14H,3,6-7,12H2,1-2H3
InChIKeyKPDYMVYABMCWOY-UHFFFAOYSA-N
XLogP0.58
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.58
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

5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281
5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879827
3-[ethyl(2-hydroxyethyl)sulfamoyl]-4-methylbenzoic acid
CID 60951989
5-amino-N-ethyl-3-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 79896285
5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide
CID 61138965
5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61140970
5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61433419
2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60980494
6-amino-N-ethyl-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide
CID 54880006
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
5-amino-N,N,2-triethylbenzenesulfonamide
CID 43255626
5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140112

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide (CID 54879902) is 5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide is CCN(CCO)S(=O)(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
The InChIKey is KPDYMVYABMCWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-13(6-7-14)17(15,16)11-8-10(12)5-4-9(11)2/h4-5,8,14H,3,6-7,12H2,1-2H3.
What are the key properties of 5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide?
5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 54879902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).