5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide

C13H18N2O3S — CID 81056476

IUPAC5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cc(C#N)ccc1C
InChIInChI=1S/C13H18N2O3S/c1-4-18-8-7-15(3)19(16,17)13-9-12(10-14)6-5-11(13)2/h5-6,9H,4,7-8H2,1-3H3
InChIKeyMQDKKMRXPKBLAB-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.52
Rot. Bonds6

About 5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide

5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 81056476) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
PubChem CID81056476
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cc(C#N)ccc1C
InChIInChI=1S/C13H18N2O3S/c1-4-18-8-7-15(3)19(16,17)13-9-12(10-14)6-5-11(13)2/h5-6,9H,4,7-8H2,1-3H3
InChIKeyMQDKKMRXPKBLAB-UHFFFAOYSA-N
XLogP1.52
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromoethyl)-5-cyano-N,2-dimethylbenzenesulfonamide
CID 106441867
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199
2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide
CID 81053826
4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide
CID 106997235
4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 103833705
4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide
CID 3821573
2-bromo-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81062273
4-cyano-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methylbenzenesulfonamide
CID 103080918
5-cyano-N-ethoxy-2-methylbenzenesulfonamide
CID 64973950
N-(3-aminopropyl)-4-cyano-N,2-dimethylbenzenesulfonamide
CID 103829032
2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062460
3-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81067596

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide (CID 81056476) is 5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide is CCOCCN(C)S(=O)(=O)c1cc(C#N)ccc1C.
What is the InChIKey of 5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is MQDKKMRXPKBLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-4-18-8-7-15(3)19(16,17)13-9-12(10-14)6-5-11(13)2/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide?
5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 81056476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).