N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-cyanobenzenesulfonamide

C19H22ClN3O2S — CID 16561851

IUPACN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-cyanobenzenesulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O2S/c1-3-23(4-2)19(17-7-5-6-8-18(17)20)14-22-26(24,25)16-11-9-15(13-21)10-12-16/h5-12,19,22H,3-4,14H2,1-2H3
InChIKeyPFSQSTNNRVVDJG-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.57
Rot. Bonds8

About N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-cyanobenzenesulfonamide

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-cyanobenzenesulfonamide (PubChem CID 16561851) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-cyanobenzenesulfonamide
PubChem CID16561851
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-cyanobenzenesulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O2S/c1-3-23(4-2)19(17-7-5-6-8-18(17)20)14-22-26(24,25)16-11-9-15(13-21)10-12-16/h5-12,19,22H,3-4,14H2,1-2H3
InChIKeyPFSQSTNNRVVDJG-UHFFFAOYSA-N
XLogP3.57
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-cyanobenzenesulfonamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-cyanobenzenesulfonamide (CID 16561851) is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-cyanobenzenesulfonamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-cyanobenzenesulfonamide is CCN(CC)C(CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-cyanobenzenesulfonamide?
The InChIKey is PFSQSTNNRVVDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-3-23(4-2)19(17-7-5-6-8-18(17)20)14-22-26(24,25)16-11-9-15(13-21)10-12-16/h5-12,19,22H,3-4,14H2,1-2H3.
What are the key properties of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-cyanobenzenesulfonamide?
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-cyanobenzenesulfonamide has a molecular weight of 391.92 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-cyanobenzenesulfonamide is sourced from PubChem (CID 16561851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).