3-amino-N,N-diethyl-4,5-dimethylbenzenesulfonamide

C12H20N2O2S — CID 4962712

IUPAC3-amino-N,N-diethyl-4,5-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(N)c1
InChIInChI=1S/C12H20N2O2S/c1-5-14(6-2)17(15,16)11-7-9(3)10(4)12(13)8-11/h7-8H,5-6,13H2,1-4H3
InChIKeyRJHRVIOUKLTPPZ-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.92
Rot. Bonds4

About 3-amino-N,N-diethyl-4,5-dimethylbenzenesulfonamide

3-amino-N,N-diethyl-4,5-dimethylbenzenesulfonamide (PubChem CID 4962712) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-amino-N,N-diethyl-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,N-diethyl-4,5-dimethylbenzenesulfonamide
PubChem CID4962712
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-amino-N,N-diethyl-4,5-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(N)c1
InChIInChI=1S/C12H20N2O2S/c1-5-14(6-2)17(15,16)11-7-9(3)10(4)12(13)8-11/h7-8H,5-6,13H2,1-4H3
InChIKeyRJHRVIOUKLTPPZ-UHFFFAOYSA-N
XLogP1.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.92
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-diethyl-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N,N-diethyl-4,5-dimethylbenzenesulfonamide (CID 4962712) is 3-amino-N,N-diethyl-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N,N-diethyl-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N,N-diethyl-4,5-dimethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C)c(C)c(N)c1.
What is the InChIKey of 3-amino-N,N-diethyl-4,5-dimethylbenzenesulfonamide?
The InChIKey is RJHRVIOUKLTPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-14(6-2)17(15,16)11-7-9(3)10(4)12(13)8-11/h7-8H,5-6,13H2,1-4H3.
What are the key properties of 3-amino-N,N-diethyl-4,5-dimethylbenzenesulfonamide?
3-amino-N,N-diethyl-4,5-dimethylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.92, 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-diethyl-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 4962712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).