N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

C8H7N3O2S2 — CID 871955

IUPACN-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccccc1
InChIInChI=1S/C8H7N3O2S2/c12-15(13,7-4-2-1-3-5-7)11-8-10-9-6-14-8/h1-6H,(H,10,11)
InChIKeyCQVBWAMMROBBPU-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.34
Rot. Bonds3

About N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 871955) has the molecular formula C8H7N3O2S2 and a molecular weight of 241.30 g/mol. Its IUPAC name is N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID871955
Molecular FormulaC8H7N3O2S2
Molecular Weight241.30 g/mol
Exact Mass241.00
IUPAC NameN-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nncs1)c1ccccc1
InChIInChI=1S/C8H7N3O2S2/c12-15(13,7-4-2-1-3-5-7)11-8-10-9-6-14-8/h1-6H,(H,10,11)
InChIKeyCQVBWAMMROBBPU-UHFFFAOYSA-N
XLogP1.34
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 871955) is N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nncs1)c1ccccc1.
What is the InChIKey of N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is CQVBWAMMROBBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S2/c12-15(13,7-4-2-1-3-5-7)11-8-10-9-6-14-8/h1-6H,(H,10,11).
What are the key properties of N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 241.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 871955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).