4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide

C15H22N2O4S — CID 3821573

IUPAC4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-20-11-9-17(10-12-21-4-2)22(18,19)15-7-5-14(13-16)6-8-15/h5-8H,3-4,9-12H2,1-2H3
InChIKeyJHZQHRIOMOJCLI-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.62
Rot. Bonds10

About 4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide

4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide (PubChem CID 3821573) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide
PubChem CID3821573
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-20-11-9-17(10-12-21-4-2)22(18,19)15-7-5-14(13-16)6-8-15/h5-8H,3-4,9-12H2,1-2H3
InChIKeyJHZQHRIOMOJCLI-UHFFFAOYSA-N
XLogP1.62
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 65481240
2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide
CID 61060009
5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81056476
N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide
CID 63691304
N-benzyl-4-cyano-N-propylbenzenesulfonamide
CID 30328624
N,N-bis(2-ethoxyethyl)-3-hydroxybenzenesulfonamide
CID 82939428
N-(2-ethoxyethyl)-N-ethyl-4-(propylamino)benzenesulfonamide
CID 63692201
4-[2-ethoxyethyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 63690581
ethyl 4-cyanobenzenesulfonate
CID 10878452
4-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544726
N-ethyl-N-[2-[2-[2-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethoxy]ethyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 100986628
copper N,N-bis(2-ethoxyethyl)-4-[10,15,20-tris[4-[bis(2-ethoxyethyl)sulfamoyl]phenyl]porphyrin-22,24-diid-5-yl]benzenesulfonamide
CID 59185037

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide (CID 3821573) is 4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide is CCOCCN(CCOCC)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide?
The InChIKey is JHZQHRIOMOJCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-20-11-9-17(10-12-21-4-2)22(18,19)15-7-5-14(13-16)6-8-15/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide?
4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.62, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide is sourced from PubChem (CID 3821573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).