N-(1,3,4-thiadiazol-2-yl)quinoline-5-sulfonamide

C11H8N4O2S2 — CID 71909654

IUPACN-(1,3,4-thiadiazol-2-yl)quinoline-5-sulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cccc2ncccc12
InChIInChI=1S/C11H8N4O2S2/c16-19(17,15-11-14-13-7-18-11)10-5-1-4-9-8(10)3-2-6-12-9/h1-7H,(H,14,15)
InChIKeyOXMJQYUKAYZRBU-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.89
Rot. Bonds3

About N-(1,3,4-thiadiazol-2-yl)quinoline-5-sulfonamide

N-(1,3,4-thiadiazol-2-yl)quinoline-5-sulfonamide (PubChem CID 71909654) has the molecular formula C11H8N4O2S2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-(1,3,4-thiadiazol-2-yl)quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1,3,4-thiadiazol-2-yl)quinoline-5-sulfonamide
PubChem CID71909654
Molecular FormulaC11H8N4O2S2
Molecular Weight292.35 g/mol
Exact Mass292.01
IUPAC NameN-(1,3,4-thiadiazol-2-yl)quinoline-5-sulfonamide
SMILESO=S(=O)(Nc1nncs1)c1cccc2ncccc12
InChIInChI=1S/C11H8N4O2S2/c16-19(17,15-11-14-13-7-18-11)10-5-1-4-9-8(10)3-2-6-12-9/h1-7H,(H,14,15)
InChIKeyOXMJQYUKAYZRBU-UHFFFAOYSA-N
XLogP1.89
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-thiadiazol-2-yl)quinoline-5-sulfonamide?
The IUPAC name of N-(1,3,4-thiadiazol-2-yl)quinoline-5-sulfonamide (CID 71909654) is N-(1,3,4-thiadiazol-2-yl)quinoline-5-sulfonamide.
What is the SMILES notation for N-(1,3,4-thiadiazol-2-yl)quinoline-5-sulfonamide?
The canonical SMILES for N-(1,3,4-thiadiazol-2-yl)quinoline-5-sulfonamide is O=S(=O)(Nc1nncs1)c1cccc2ncccc12.
What is the InChIKey of N-(1,3,4-thiadiazol-2-yl)quinoline-5-sulfonamide?
The InChIKey is OXMJQYUKAYZRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S2/c16-19(17,15-11-14-13-7-18-11)10-5-1-4-9-8(10)3-2-6-12-9/h1-7H,(H,14,15).
What are the key properties of N-(1,3,4-thiadiazol-2-yl)quinoline-5-sulfonamide?
N-(1,3,4-thiadiazol-2-yl)quinoline-5-sulfonamide has a molecular weight of 292.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-thiadiazol-2-yl)quinoline-5-sulfonamide is sourced from PubChem (CID 71909654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).