2-(thiadiazol-4-yl)benzenesulfonamide

C8H7N3O2S2 — CID 141367907

IUPAC2-(thiadiazol-4-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1csnn1
InChIInChI=1S/C8H7N3O2S2/c9-15(12,13)8-4-2-1-3-6(8)7-5-14-11-10-7/h1-5H,(H2,9,12,13)
InChIKeySHZBSQXYNKVEFV-UHFFFAOYSA-N
MW241.30 g/mol
LogP0.85
Rot. Bonds2

About 2-(thiadiazol-4-yl)benzenesulfonamide

2-(thiadiazol-4-yl)benzenesulfonamide (PubChem CID 141367907) has the molecular formula C8H7N3O2S2 and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-(thiadiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(thiadiazol-4-yl)benzenesulfonamide
PubChem CID141367907
Molecular FormulaC8H7N3O2S2
Molecular Weight241.30 g/mol
Exact Mass241.00
IUPAC Name2-(thiadiazol-4-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1csnn1
InChIInChI=1S/C8H7N3O2S2/c9-15(12,13)8-4-2-1-3-6(8)7-5-14-11-10-7/h1-5H,(H2,9,12,13)
InChIKeySHZBSQXYNKVEFV-UHFFFAOYSA-N
XLogP0.85
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide
CID 142784698
2-[2-(2-chlorophenyl)phenyl]benzenesulfonamide
CID 175024723
formic acid;2-pyrimidin-4-ylbenzenesulfonamide
CID 159249968
2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide
CID 117064042
2-(1-methyltetrazol-5-yl)benzenesulfonamide
CID 14179829
2-[2-(4-methylthiophen-2-yl)phenyl]benzenesulfonamide
CID 23217423
[2-(thiadiazol-4-yl)phenyl] cyclopropanecarboxylate
CID 69363613
2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide
CID 70538320
2-(2-amino-1,3-thiazol-4-yl)benzenesulfonic acid
CID 22761566
2-[2-(4-fluorophenyl)phenyl]benzenesulfonamide
CID 23217342
biphenylene;sulfamide
CID 67882419
2-(5,6-dihydro-1,4,2-dioxazin-3-yl)benzenesulfonamide
CID 10922715

Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-(thiadiazol-4-yl)benzenesulfonamide (CID 141367907) is 2-(thiadiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-(thiadiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-(thiadiazol-4-yl)benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1csnn1.
What is the InChIKey of 2-(thiadiazol-4-yl)benzenesulfonamide?
The InChIKey is SHZBSQXYNKVEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S2/c9-15(12,13)8-4-2-1-3-6(8)7-5-14-11-10-7/h1-5H,(H2,9,12,13).
What are the key properties of 2-(thiadiazol-4-yl)benzenesulfonamide?
2-(thiadiazol-4-yl)benzenesulfonamide has a molecular weight of 241.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 141367907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).