3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide

C17H27N3O2S — CID 60539740

IUPAC3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN(CC)CCN(CC(C)C)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H27N3O2S/c1-5-19(6-2)10-11-20(14-15(3)4)23(21,22)17-9-7-8-16(12-17)13-18/h7-9,12,15H,5-6,10-11,14H2,1-4H3
InChIKeyFYAAQDNHERLEJG-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.55
Rot. Bonds9

About 3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide

3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 60539740) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
PubChem CID60539740
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN(CC)CCN(CC(C)C)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H27N3O2S/c1-5-19(6-2)10-11-20(14-15(3)4)23(21,22)17-9-7-8-16(12-17)13-18/h7-9,12,15H,5-6,10-11,14H2,1-4H3
InChIKeyFYAAQDNHERLEJG-UHFFFAOYSA-N
XLogP2.55
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide 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

2-[(3-cyanophenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62034793
3-chloro-4-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 52708051
3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 60539379
3-cyano-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 47306005
N-butyl-3-cyano-N-ethylbenzenesulfonamide
CID 24700685
3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269699
3-cyano-N-cyclopentyl-N-(2-methylpropyl)benzenesulfonamide
CID 78982763
3-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 61140705
3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
CID 4967372
3-N-ethyl-3-N-(2-methylpropyl)benzene-1,3-disulfonamide
CID 43274039
3-cyano-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43429214
3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61060489

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide (CID 60539740) is 3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide is CCN(CC)CCN(CC(C)C)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is FYAAQDNHERLEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-5-19(6-2)10-11-20(14-15(3)4)23(21,22)17-9-7-8-16(12-17)13-18/h7-9,12,15H,5-6,10-11,14H2,1-4H3.
What are the key properties of 3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide?
3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 337.49 g/mol, XLogP of 2.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 60539740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).