3-[(3-benzyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide

C18H21N3O2S2 — CID 4832920

IUPAC3-[(3-benzyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(/N=C2\SCCN2Cc2ccccc2)c1
InChIInChI=1S/C18H21N3O2S2/c1-20(2)25(22,23)17-10-6-9-16(13-17)19-18-21(11-12-24-18)14-15-7-4-3-5-8-15/h3-10,13H,11-12,14H2,1-2H3/b19-18-
InChIKeyIBBZISQJUWRQRG-HNENSFHCSA-N
MW375.52 g/mol
LogP3.17
Rot. Bonds5

About 3-[(3-benzyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide

3-[(3-benzyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 4832920) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-[(3-benzyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-benzyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID4832920
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC Name3-[(3-benzyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(/N=C2\SCCN2Cc2ccccc2)c1
InChIInChI=1S/C18H21N3O2S2/c1-20(2)25(22,23)17-10-6-9-16(13-17)19-18-21(11-12-24-18)14-15-7-4-3-5-8-15/h3-10,13H,11-12,14H2,1-2H3/b19-18-
InChIKeyIBBZISQJUWRQRG-HNENSFHCSA-N
XLogP3.17
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[(3-benzyl-1,3-thiazolidin-2-ylidene)amino]-N,N-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

4-[(3-Ethyl-4-phenyl-1,3-thiazolin-2-ylidene)azamethyl]benzenesulfonic acid
CID 2131658
N-[(2Z)-3-butyl-4-[4-(morpholin-4-ylsulfonyl)phenyl]-1,3-thiazol-2(3H)-ylidene]aniline
CID 1842443
5-Methyl-3-[(4-methylphenyl)sulfonyl]-2-(phenylazamethylene)-1,3-thiazolidin-4-one
CID 4283776
3-[(3-benzoyl-5-methyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide
CID 15945361
4-[[3-Cyclohexyl-4-(4-fluorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
CID 122185236
4-[[3-Cyclohexyl-4-(2,4-difluorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
CID 122185240
4-[[3-Cyclohexyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
CID 122185243
4-[(3-Cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)amino]benzenesulfonamide
CID 122185246
4-[(3,4-Diphenyl-1,3-thiazol-2-ylidene)amino]benzenesulfonamide
CID 145989433
4-[[4-(4-Bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
CID 156010502
4-[[4-(4-Cyanophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
CID 156010986
4-[[3-Ethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
CID 156011516

Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(3-benzyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide (CID 4832920) is 3-[(3-benzyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(3-benzyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(3-benzyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(/N=C2\SCCN2Cc2ccccc2)c1.
What is the InChIKey of 3-[(3-benzyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is IBBZISQJUWRQRG-HNENSFHCSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-20(2)25(22,23)17-10-6-9-16(13-17)19-18-21(11-12-24-18)14-15-7-4-3-5-8-15/h3-10,13H,11-12,14H2,1-2H3/b19-18-.
What are the key properties of 3-[(3-benzyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide?
3-[(3-benzyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 375.52 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzyl-1,3-thiazolidin-2-ylidene)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 4832920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).