3-amino-N,N-diethylbenzenesulfonamide

C10H16N2O2S — CID 2963515

IUPAC3-amino-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C10H16N2O2S/c1-3-12(4-2)15(13,14)10-7-5-6-9(11)8-10/h5-8H,3-4,11H2,1-2H3
InChIKeyCTBWWPIIRKWDDL-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.30
Rot. Bonds4

About 3-amino-N,N-diethylbenzenesulfonamide

3-amino-N,N-diethylbenzenesulfonamide (PubChem CID 2963515) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-amino-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,N-diethylbenzenesulfonamide
PubChem CID2963515
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-amino-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C10H16N2O2S/c1-3-12(4-2)15(13,14)10-7-5-6-9(11)8-10/h5-8H,3-4,11H2,1-2H3
InChIKeyCTBWWPIIRKWDDL-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 3-amino-N,N-diethylbenzenesulfonamide?
The IUPAC name of 3-amino-N,N-diethylbenzenesulfonamide (CID 2963515) is 3-amino-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N,N-diethylbenzenesulfonamide?
The InChIKey is CTBWWPIIRKWDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-12(4-2)15(13,14)10-7-5-6-9(11)8-10/h5-8H,3-4,11H2,1-2H3.
What are the key properties of 3-amino-N,N-diethylbenzenesulfonamide?
3-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 3-amino-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 2963515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).