N-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide

C22H17Cl2N3O3S — CID 55866596

IUPACN-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
SMILESO=C(NCCc1cccc(Cl)c1Cl)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C22H17Cl2N3O3S/c23-18-6-3-4-14(20(18)24)12-13-25-22(28)15-8-10-16(11-9-15)26-21-17-5-1-2-7-19(17)31(29,30)27-21/h1-11H,12-13H2,(H,25,28)(H,26,27)
InChIKeyZZVCRGSDERRCKU-UHFFFAOYSA-N
MW474.37 g/mol
LogP4.53
Rot. Bonds5

About N-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide

N-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide (PubChem CID 55866596) has the molecular formula C22H17Cl2N3O3S and a molecular weight of 474.37 g/mol. Its IUPAC name is N-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
PubChem CID55866596
Molecular FormulaC22H17Cl2N3O3S
Molecular Weight474.37 g/mol
Exact Mass473.04
IUPAC NameN-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
SMILESO=C(NCCc1cccc(Cl)c1Cl)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C22H17Cl2N3O3S/c23-18-6-3-4-14(20(18)24)12-13-25-22(28)15-8-10-16(11-9-15)26-21-17-5-1-2-7-19(17)31(29,30)27-21/h1-11H,12-13H2,(H,25,28)(H,26,27)
InChIKeyZZVCRGSDERRCKU-UHFFFAOYSA-N
XLogP4.53
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide 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-[4-(4-chlorophenoxy)butyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 31676926
N-(2-anilino-2-oxoethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 55860499
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 31709657
N-(4-bromophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 29371074
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[[(3R)-thiolan-3-yl]methyl]benzamide
CID 124845671
N-[1-(aminomethyl)cyclopentyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 119566915
4-[4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]phenoxy]benzamide
CID 56548908
2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide
CID 71607189
[(2S)-3-oxobutan-2-yl] 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate
CID 30669023
[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate
CID 30427705
N-(3-chloro-4-fluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 2301891
3-methylbutyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate
CID 37134520

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide?
The IUPAC name of N-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide (CID 55866596) is N-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide.
What is the SMILES notation for N-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide?
The canonical SMILES for N-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide is O=C(NCCc1cccc(Cl)c1Cl)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of N-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide?
The InChIKey is ZZVCRGSDERRCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3S/c23-18-6-3-4-14(20(18)24)12-13-25-22(28)15-8-10-16(11-9-15)26-21-17-5-1-2-7-19(17)31(29,30)27-21/h1-11H,12-13H2,(H,25,28)(H,26,27).
What are the key properties of N-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide?
N-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide has a molecular weight of 474.37 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichlorophenyl)ethyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide is sourced from PubChem (CID 55866596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).