3-amino-4-(2-methoxyethylamino)-N-methylbenzenesulfonamide

C10H17N3O3S — CID 43449117

IUPAC3-amino-4-(2-methoxyethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCOC)c(N)c1
InChIInChI=1S/C10H17N3O3S/c1-12-17(14,15)8-3-4-10(9(11)7-8)13-5-6-16-2/h3-4,7,12-13H,5-6,11H2,1-2H3
InChIKeyONGGAOXTMCAIAD-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.24
Rot. Bonds6

About 3-amino-4-(2-methoxyethylamino)-N-methylbenzenesulfonamide

3-amino-4-(2-methoxyethylamino)-N-methylbenzenesulfonamide (PubChem CID 43449117) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-amino-4-(2-methoxyethylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(2-methoxyethylamino)-N-methylbenzenesulfonamide
PubChem CID43449117
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name3-amino-4-(2-methoxyethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCOC)c(N)c1
InChIInChI=1S/C10H17N3O3S/c1-12-17(14,15)8-3-4-10(9(11)7-8)13-5-6-16-2/h3-4,7,12-13H,5-6,11H2,1-2H3
InChIKeyONGGAOXTMCAIAD-UHFFFAOYSA-N
XLogP0.24
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methoxyethylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(2-methoxyethylamino)-N-methylbenzenesulfonamide (CID 43449117) is 3-amino-4-(2-methoxyethylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(2-methoxyethylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(2-methoxyethylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NCCOC)c(N)c1.
What is the InChIKey of 3-amino-4-(2-methoxyethylamino)-N-methylbenzenesulfonamide?
The InChIKey is ONGGAOXTMCAIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-12-17(14,15)8-3-4-10(9(11)7-8)13-5-6-16-2/h3-4,7,12-13H,5-6,11H2,1-2H3.
What are the key properties of 3-amino-4-(2-methoxyethylamino)-N-methylbenzenesulfonamide?
3-amino-4-(2-methoxyethylamino)-N-methylbenzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methoxyethylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43449117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).