5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide

C8H8N4O4S3 — CID 18794

IUPAC5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
InChIKeyPWDGTQXZLNDOKS-UHFFFAOYSA-N
MW320.38 g/mol
LogP-0.01
Rot. Bonds4

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

5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 18794) has the molecular formula C8H8N4O4S3 and a molecular weight of 320.38 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
PubChem CID18794
Molecular FormulaC8H8N4O4S3
Molecular Weight320.38 g/mol
Exact Mass319.97
IUPAC Name5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
InChIKeyPWDGTQXZLNDOKS-UHFFFAOYSA-N
XLogP-0.01
TPSA132.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide 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

5-{[(4-Methylphenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide
CID 394904
5-{[Benzylsulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide
CID 4323207
N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 805923
N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 871955
5-(2,3,5,6-Tetrafluoro-benzenesulfonylamino)-[1,3,4]thiadiazole-2-sulfonic acid amide
CID 10430595
N-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide
CID 789632
5-[[(4-Bromophenyl)sulfonyl]amino]-1,3,4-thiadiazole-2-sulfonamide
CID 11696964
Siccamide
CID 202890
5-(4-Dodecylphenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 53326304
N-(5-Amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 15131168
N-{5-[(2-methoxyethyl)thio]-1,3,4-thiadiazol-2-yl}benzenesulfonamide
CID 2963212
[(4-Fluorophenyl)sulfonyl][5-(2-methoxyethylthio)(1,3,4-thiadiazol-2-yl)]amine
CID 3158261

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide (CID 18794) is 5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide is NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is PWDGTQXZLNDOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14).
What are the key properties of 5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide?
5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 320.38 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 18794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).