5-(benzenesulfonyl)-1,3,4-thiadiazol-2-amine

C8H7N3O2S2 — CID 10562095

IUPAC5-(benzenesulfonyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C8H7N3O2S2/c9-7-10-11-8(14-7)15(12,13)6-4-2-1-3-5-6/h1-5H,(H2,9,10)
InChIKeyKBLDWUVMOQJBFF-UHFFFAOYSA-N
MW241.30 g/mol
LogP0.95
Rot. Bonds2

About 5-(benzenesulfonyl)-1,3,4-thiadiazol-2-amine

5-(benzenesulfonyl)-1,3,4-thiadiazol-2-amine (PubChem CID 10562095) has the molecular formula C8H7N3O2S2 and a molecular weight of 241.30 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-1,3,4-thiadiazol-2-amine
PubChem CID10562095
Molecular FormulaC8H7N3O2S2
Molecular Weight241.30 g/mol
Exact Mass241.00
IUPAC Name5-(benzenesulfonyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C8H7N3O2S2/c9-7-10-11-8(14-7)15(12,13)6-4-2-1-3-5-6/h1-5H,(H2,9,10)
InChIKeyKBLDWUVMOQJBFF-UHFFFAOYSA-N
XLogP0.95
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(benzenesulfonyl)-1,3,4-thiadiazol-2-amine (CID 10562095) is 5-(benzenesulfonyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(benzenesulfonyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KBLDWUVMOQJBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S2/c9-7-10-11-8(14-7)15(12,13)6-4-2-1-3-5-6/h1-5H,(H2,9,10).
What are the key properties of 5-(benzenesulfonyl)-1,3,4-thiadiazol-2-amine?
5-(benzenesulfonyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 241.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 10562095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).