3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide

C28H36Cl2N8O6S4 — CID 172777152

IUPAC3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide
SMILESCCN(CC)CCc1nsc(NS(=O)(=O)c2cccc(Cl)c2C)n1.CON(C)C(=O)Cc1nsc(NS(=O)(=O)c2cccc(Cl)c2C)n1
InChIInChI=1S/C15H21ClN4O2S2.C13H15ClN4O4S2/c1-4-20(5-2)10-9-14-17-15(23-18-14)19-24(21,22)13-8-6-7-12(16)11(13)3;1-8-9(14)5-4-6-10(8)24(20,21)17-13-15-11(16-23-13)7-12(19)18(2)22-3/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19);4-6H,7H2,1-3H3,(H,15,16,17)
InChIKeyNTIFSPGCKGNVOP-UHFFFAOYSA-N
MW779.82 g/mol
LogP5.05
Rot. Bonds14

About 3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide

3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide (PubChem CID 172777152) has the molecular formula C28H36Cl2N8O6S4 and a molecular weight of 779.82 g/mol. Its IUPAC name is 3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide
PubChem CID172777152
Molecular FormulaC28H36Cl2N8O6S4
Molecular Weight779.82 g/mol
Exact Mass778.10
IUPAC Name3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide
SMILESCCN(CC)CCc1nsc(NS(=O)(=O)c2cccc(Cl)c2C)n1.CON(C)C(=O)Cc1nsc(NS(=O)(=O)c2cccc(Cl)c2C)n1
InChIInChI=1S/C15H21ClN4O2S2.C13H15ClN4O4S2/c1-4-20(5-2)10-9-14-17-15(23-18-14)19-24(21,22)13-8-6-7-12(16)11(13)3;1-8-9(14)5-4-6-10(8)24(20,21)17-13-15-11(16-23-13)7-12(19)18(2)22-3/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19);4-6H,7H2,1-3H3,(H,15,16,17)
InChIKeyNTIFSPGCKGNVOP-UHFFFAOYSA-N
XLogP5.05
TPSA176.68 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500779.82
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide 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

2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide
CID 87545717
3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide
CID 21081335
2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]ethyl furan-2-carboxylate
CID 22027912
2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide
CID 10286794
3-chloro-N-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87546416
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 10111686
3-chloro-2-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 22028052
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 87545698
N-[4-(2-bromoethyl)-1,3-thiazol-2-yl]-3-chloro-2-methylbenzenesulfonamide
CID 11292384
3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide
CID 10193584
3-chloro-2-methyl-N-(3-thiophen-3-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081314
2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide
CID 22028001

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide?
The IUPAC name of 3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide (CID 172777152) is 3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide.
What is the SMILES notation for 3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide?
The canonical SMILES for 3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide is CCN(CC)CCc1nsc(NS(=O)(=O)c2cccc(Cl)c2C)n1.CON(C)C(=O)Cc1nsc(NS(=O)(=O)c2cccc(Cl)c2C)n1.
What is the InChIKey of 3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide?
The InChIKey is NTIFSPGCKGNVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2S2.C13H15ClN4O4S2/c1-4-20(5-2)10-9-14-17-15(23-18-14)19-24(21,22)13-8-6-7-12(16)11(13)3;1-8-9(14)5-4-6-10(8)24(20,21)17-13-15-11(16-23-13)7-12(19)18(2)22-3/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19);4-6H,7H2,1-3H3,(H,15,16,17).
What are the key properties of 3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide?
3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide has a molecular weight of 779.82 g/mol, XLogP of 5.05, 14 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide is sourced from PubChem (CID 172777152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).