2-chloro-N-[2-(3,4-dichlorophenyl)propyl]-6-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide

C22H19Cl3N4O3S2 — CID 68773830

IUPAC2-chloro-N-[2-(3,4-dichlorophenyl)propyl]-6-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
SMILESCC(CNC(=O)c1c(Cl)cccc1NS(=O)(=O)C1=CC=CN2SNC=C12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H19Cl3N4O3S2/c1-13(14-7-8-15(23)17(25)10-14)11-26-22(30)21-16(24)4-2-5-18(21)28-34(31,32)20-6-3-9-29-19(20)12-27-33-29/h2-10,12-13,27-28H,11H2,1H3,(H,26,30)
InChIKeyIUSBTAQYXDENFU-UHFFFAOYSA-N
MW557.91 g/mol
LogP5.64
Rot. Bonds7

About 2-chloro-N-[2-(3,4-dichlorophenyl)propyl]-6-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide

2-chloro-N-[2-(3,4-dichlorophenyl)propyl]-6-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide (PubChem CID 68773830) has the molecular formula C22H19Cl3N4O3S2 and a molecular weight of 557.91 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,4-dichlorophenyl)propyl]-6-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,4-dichlorophenyl)propyl]-6-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
PubChem CID68773830
Molecular FormulaC22H19Cl3N4O3S2
Molecular Weight557.91 g/mol
Exact Mass556.00
IUPAC Name2-chloro-N-[2-(3,4-dichlorophenyl)propyl]-6-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
SMILESCC(CNC(=O)c1c(Cl)cccc1NS(=O)(=O)C1=CC=CN2SNC=C12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H19Cl3N4O3S2/c1-13(14-7-8-15(23)17(25)10-14)11-26-22(30)21-16(24)4-2-5-18(21)28-34(31,32)20-6-3-9-29-19(20)12-27-33-29/h2-10,12-13,27-28H,11H2,1H3,(H,26,30)
InChIKeyIUSBTAQYXDENFU-UHFFFAOYSA-N
XLogP5.64
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.91
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-(3,4-dichlorophenyl)propyl]-6-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)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-[1-(3-bromophenyl)-1-hydroxypropan-2-yl]-4-chloro-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
CID 68768665
5-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
CID 68830030
4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
CID 68830042
4-bromo-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
CID 68835324
N-[(2-bromophenyl)methyl]-4-chloro-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
CID 68834101
(2S)-3-(4-chloro-3-iodophenyl)-2-[[4-iodo-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzoyl]amino]propanoic acid
CID 68773451
(2S)-3-(2,4-dichloro-5-fluorophenyl)-2-[[4-iodo-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzoyl]amino]propanoic acid
CID 68770711
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[2-(3,4-dichlorophenyl)propyl]-4-iodobenzamide
CID 11707278
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide
CID 119527099
2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702472
N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide
CID 114316754
3-[(2-chlorophenyl)sulfamoyl]-N-[(2S)-2-hydroxy-3-methylbutyl]benzamide
CID 97012345

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,4-dichlorophenyl)propyl]-6-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide?
The IUPAC name of 2-chloro-N-[2-(3,4-dichlorophenyl)propyl]-6-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide (CID 68773830) is 2-chloro-N-[2-(3,4-dichlorophenyl)propyl]-6-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3,4-dichlorophenyl)propyl]-6-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide?
The canonical SMILES for 2-chloro-N-[2-(3,4-dichlorophenyl)propyl]-6-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide is CC(CNC(=O)c1c(Cl)cccc1NS(=O)(=O)C1=CC=CN2SNC=C12)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(3,4-dichlorophenyl)propyl]-6-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide?
The InChIKey is IUSBTAQYXDENFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N4O3S2/c1-13(14-7-8-15(23)17(25)10-14)11-26-22(30)21-16(24)4-2-5-18(21)28-34(31,32)20-6-3-9-29-19(20)12-27-33-29/h2-10,12-13,27-28H,11H2,1H3,(H,26,30).
What are the key properties of 2-chloro-N-[2-(3,4-dichlorophenyl)propyl]-6-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide?
2-chloro-N-[2-(3,4-dichlorophenyl)propyl]-6-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide has a molecular weight of 557.91 g/mol, XLogP of 5.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,4-dichlorophenyl)propyl]-6-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide is sourced from PubChem (CID 68773830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).