3-amino-N-(2-methoxyethyl)benzenesulfonamide

C9H14N2O3S — CID 4713670

IUPAC3-amino-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C9H14N2O3S/c1-14-6-5-11-15(12,13)9-4-2-3-8(10)7-9/h2-4,7,11H,5-6,10H2,1H3
InChIKeyUYOOWVBGYJUUSV-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.19
Rot. Bonds5

About 3-amino-N-(2-methoxyethyl)benzenesulfonamide

3-amino-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 4713670) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID4713670
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name3-amino-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C9H14N2O3S/c1-14-6-5-11-15(12,13)9-4-2-3-8(10)7-9/h2-4,7,11H,5-6,10H2,1H3
InChIKeyUYOOWVBGYJUUSV-UHFFFAOYSA-N
XLogP0.19
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(2-methoxyethyl)benzenesulfonamide (CID 4713670) is 3-amino-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is UYOOWVBGYJUUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-14-6-5-11-15(12,13)9-4-2-3-8(10)7-9/h2-4,7,11H,5-6,10H2,1H3.
What are the key properties of 3-amino-N-(2-methoxyethyl)benzenesulfonamide?
3-amino-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 4713670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).