N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide

C14H20N2O2S — CID 47387971

IUPACN-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H20N2O2S/c1-5-16(10-11(2)9-15)19(17,18)14-7-6-12(3)13(4)8-14/h6-8,11H,5,10H2,1-4H3
InChIKeyBBZYZVJDSGYODC-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.47
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide

N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide (PubChem CID 47387971) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide
PubChem CID47387971
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H20N2O2S/c1-5-16(10-11(2)9-15)19(17,18)14-7-6-12(3)13(4)8-14/h6-8,11H,5,10H2,1-4H3
InChIKeyBBZYZVJDSGYODC-UHFFFAOYSA-N
XLogP2.47
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanopropyl)-N-ethyl-3,4-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-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide
CID 47387967
4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387960
3-chloro-4-cyano-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 115591030
5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide
CID 61138965
3,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387979
2-bromo-5-[2-cyanopropyl(ethyl)sulfamoyl]benzoic acid
CID 60951344
N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide
CID 61384877
3-amino-5-chloro-N-(2-cyanopropyl)-N-ethyl-4-methylbenzenesulfonamide
CID 61139914
2-amino-N-(2-cyanopropyl)-N-ethyl-4-methylbenzenesulfonamide
CID 61138586
2-amino-N-(2-cyanopropyl)-N-ethyl-5-nitrobenzenesulfonamide
CID 62151323
2,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387966
4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61384905

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide (CID 47387971) is N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide is CCN(CC(C)C#N)S(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide?
The InChIKey is BBZYZVJDSGYODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-5-16(10-11(2)9-15)19(17,18)14-7-6-12(3)13(4)8-14/h6-8,11H,5,10H2,1-4H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide?
N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 47387971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).