5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide

C16H12N4O2S2 — CID 1090730

IUPAC5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCc1ccc2nsnc2c1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C16H12N4O2S2/c1-10-7-8-12-15(19-23-18-12)16(10)24(21,22)20-13-6-2-4-11-5-3-9-17-14(11)13/h2-9,20H,1H3
InChIKeyWWOSUMKIIWMTPX-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.35
Rot. Bonds3

About 5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide

5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 1090730) has the molecular formula C16H12N4O2S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID1090730
Molecular FormulaC16H12N4O2S2
Molecular Weight356.43 g/mol
Exact Mass356.04
IUPAC Name5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCc1ccc2nsnc2c1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C16H12N4O2S2/c1-10-7-8-12-15(19-23-18-12)16(10)24(21,22)20-13-6-2-4-11-5-3-9-17-14(11)13/h2-9,20H,1H3
InChIKeyWWOSUMKIIWMTPX-UHFFFAOYSA-N
XLogP3.35
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diazox_sulfon_A(36)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide (CID 1090730) is 5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide is Cc1ccc2nsnc2c1S(=O)(=O)Nc1cccc2cccnc12.
What is the InChIKey of 5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is WWOSUMKIIWMTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S2/c1-10-7-8-12-15(19-23-18-12)16(10)24(21,22)20-13-6-2-4-11-5-3-9-17-14(11)13/h2-9,20H,1H3.
What are the key properties of 5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide?
5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 356.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 1090730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).