N-(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide

C9H6N4O2S3 — CID 25047938

IUPACN-(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cccc2nsnc12
InChIInChI=1S/C9H6N4O2S3/c14-18(15,13-9-10-4-5-16-9)7-3-1-2-6-8(7)12-17-11-6/h1-5H,(H,10,13)
InChIKeyYCSJBVFGFYVCSU-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.95
Rot. Bonds3

About N-(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide

N-(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 25047938) has the molecular formula C9H6N4O2S3 and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID25047938
Molecular FormulaC9H6N4O2S3
Molecular Weight298.37 g/mol
Exact Mass297.97
IUPAC NameN-(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cccc2nsnc12
InChIInChI=1S/C9H6N4O2S3/c14-18(15,13-9-10-4-5-16-9)7-3-1-2-6-8(7)12-17-11-6/h1-5H,(H,10,13)
InChIKeyYCSJBVFGFYVCSU-UHFFFAOYSA-N
XLogP1.95
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 25047938) is N-(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(Nc1nccs1)c1cccc2nsnc12.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is YCSJBVFGFYVCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O2S3/c14-18(15,13-9-10-4-5-16-9)7-3-1-2-6-8(7)12-17-11-6/h1-5H,(H,10,13).
What are the key properties of N-(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 25047938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).