2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide

C11H18N2O3S — CID 114276936

IUPAC2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCCN(OC)S(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C11H18N2O3S/c1-5-13(16-4)17(14,15)11-7-9(3)8(2)6-10(11)12/h6-7H,5,12H2,1-4H3
InChIKeyLVPXUUNCJQQMBW-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.46
Rot. Bonds4

About 2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide

2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 114276936) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID114276936
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCCN(OC)S(=O)(=O)c1cc(C)c(C)cc1N
InChIInChI=1S/C11H18N2O3S/c1-5-13(16-4)17(14,15)11-7-9(3)8(2)6-10(11)12/h6-7H,5,12H2,1-4H3
InChIKeyLVPXUUNCJQQMBW-UHFFFAOYSA-N
XLogP1.46
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide
CID 81053826
2-amino-N-ethyl-4,5-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112904
5-amino-3-bromo-2-chloro-N-ethyl-N-methoxybenzenesulfonamide
CID 114276942
2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide
CID 57246919
2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 114276959
5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide
CID 79973956
2-amino-N-(cyclopropylmethyl)-N,4,5-trimethylbenzenesulfonamide
CID 60985638
2-amino-N,4,5-trimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63878730
2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
CID 29054263
2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61444342
2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327922
2-amino-N-(3-methoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43153258

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide (CID 114276936) is 2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide is CCN(OC)S(=O)(=O)c1cc(C)c(C)cc1N.
What is the InChIKey of 2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is LVPXUUNCJQQMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-5-13(16-4)17(14,15)11-7-9(3)8(2)6-10(11)12/h6-7H,5,12H2,1-4H3.
What are the key properties of 2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide?
2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 114276936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).