N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide

C15H11Cl2N3O2S3 — CID 100557354

IUPACN-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1nnc(SCc2ccccc2)s1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl2N3O2S3/c16-11-6-7-12(17)13(8-11)25(21,22)20-14-18-19-15(24-14)23-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,20)
InChIKeyUEHFNDOSXFDUMI-UHFFFAOYSA-N
MW432.38 g/mol
LogP4.94
Rot. Bonds6

About N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide (PubChem CID 100557354) has the molecular formula C15H11Cl2N3O2S3 and a molecular weight of 432.38 g/mol. Its IUPAC name is N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide
PubChem CID100557354
Molecular FormulaC15H11Cl2N3O2S3
Molecular Weight432.38 g/mol
Exact Mass430.94
IUPAC NameN-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1nnc(SCc2ccccc2)s1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl2N3O2S3/c16-11-6-7-12(17)13(8-11)25(21,22)20-14-18-19-15(24-14)23-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,20)
InChIKeyUEHFNDOSXFDUMI-UHFFFAOYSA-N
XLogP4.94
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide 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

methyl 5-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-2-chlorobenzoate
CID 100724890
2,5-dichloro-N-[5-(3-chlorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 10310120
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-chlorophenyl)ethanone
CID 110825257
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100757186
3-(azepan-1-ylsulfonyl)-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-chlorobenzamide
CID 100752530
1-benzyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42285090
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-[methyl(methylsulfonyl)amino]benzamide
CID 100711277
2-[[5-[(2-fluorophenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283777
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(3,4-dichlorophenoxy)acetamide
CID 37027667
5-[(3,4-dichlorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 27789001
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100734285
5-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-2-methoxy-N-methylbenzamide
CID 100551610

Frequently Asked Questions

What is the IUPAC name of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide (CID 100557354) is N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide is O=S(=O)(Nc1nnc(SCc2ccccc2)s1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide?
The InChIKey is UEHFNDOSXFDUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2S3/c16-11-6-7-12(17)13(8-11)25(21,22)20-14-18-19-15(24-14)23-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,20).
What are the key properties of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide?
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide has a molecular weight of 432.38 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 100557354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).