5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide

C8H6ClN3O4S3 — CID 100967614

IUPAC5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C8H6ClN3O4S3/c9-5-1-3-6(4-2-5)18(13,14)7-11-12-8(17-7)19(10,15)16/h1-4H,(H2,10,15,16)
InChIKeyCLOIEFYZAKQYFE-UHFFFAOYSA-N
MW339.81 g/mol
LogP0.67
Rot. Bonds3

About 5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide

5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 100967614) has the molecular formula C8H6ClN3O4S3 and a molecular weight of 339.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide
PubChem CID100967614
Molecular FormulaC8H6ClN3O4S3
Molecular Weight339.81 g/mol
Exact Mass338.92
IUPAC Name5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C8H6ClN3O4S3/c9-5-1-3-6(4-2-5)18(13,14)7-11-12-8(17-7)19(10,15)16/h1-4H,(H2,10,15,16)
InChIKeyCLOIEFYZAKQYFE-UHFFFAOYSA-N
XLogP0.67
TPSA120.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.81
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Siccamide
CID 202890
2-[2-(4-Chlorophenyl)sulfonylethylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 2821450
2-Benzylsulfonyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole
CID 395048
5-(4-Fluorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide
CID 100967613
Benzene, 1,1'-[(diazomethylene)bis(sulfonyl)]bis[4-chloro-
CID 10883673
1-Chloro-4-[cyclopentylsulfonyl(diazo)methyl]sulfonylbenzene
CID 21938883
1-[(E)-benzenesulfonyl(diazo)methyl]sulfonyl-4-chlorobenzene
CID 59809041
2-(4-Chlorophenyl)sulfonyl-5-methylsulfonyl-1,3,4-thiadiazole
CID 67832229
1-[Benzenesulfonyl(diazo)methyl]sulfonyl-4-chlorobenzene
CID 72567661
(4-Chlorophenyl)sulfonyl-diazomethanesulfinate
CID 90260197
2-(4-Chlorophenyl)sulfonyl-1,3,4-thiadiazole
CID 151114455
2,5-Bis[(4-chlorophenyl)sulfonyl]-1,3,4-thiadiazole
CID 10550839

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide (CID 100967614) is 5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide is NS(=O)(=O)c1nnc(S(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is CLOIEFYZAKQYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O4S3/c9-5-1-3-6(4-2-5)18(13,14)7-11-12-8(17-7)19(10,15)16/h1-4H,(H2,10,15,16).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide?
5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 339.81 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 100967614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).