2-amino-N,N-diethylbenzenesulfonamide

C10H16N2O2S — CID 12819598

IUPAC2-amino-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C10H16N2O2S/c1-3-12(4-2)15(13,14)10-8-6-5-7-9(10)11/h5-8H,3-4,11H2,1-2H3
InChIKeyFWNGNMWNTIIKRE-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.30
Rot. Bonds4

About 2-amino-N,N-diethylbenzenesulfonamide

2-amino-N,N-diethylbenzenesulfonamide (PubChem CID 12819598) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-amino-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,N-diethylbenzenesulfonamide
PubChem CID12819598
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-amino-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C10H16N2O2S/c1-3-12(4-2)15(13,14)10-8-6-5-7-9(10)11/h5-8H,3-4,11H2,1-2H3
InChIKeyFWNGNMWNTIIKRE-UHFFFAOYSA-N
XLogP1.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethylbenzenesulfonamide?
The IUPAC name of 2-amino-N,N-diethylbenzenesulfonamide (CID 12819598) is 2-amino-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N,N-diethylbenzenesulfonamide?
The InChIKey is FWNGNMWNTIIKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-12(4-2)15(13,14)10-8-6-5-7-9(10)11/h5-8H,3-4,11H2,1-2H3.
What are the key properties of 2-amino-N,N-diethylbenzenesulfonamide?
2-amino-N,N-diethylbenzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 12819598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).