1-methyl-3-quinolin-5-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide

C20H15N5O2S2 — CID 71259367

IUPAC1-methyl-3-quinolin-5-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCn1cc(-c2cccc3ncccc23)c2ccc(S(=O)(=O)Nc3ncns3)cc21
InChIInChI=1S/C20H15N5O2S2/c1-25-11-17(14-4-2-6-18-15(14)5-3-9-21-18)16-8-7-13(10-19(16)25)29(26,27)24-20-22-12-23-28-20/h2-12H,1H3,(H,22,23,24)
InChIKeyFVLWULJPDVDJPT-UHFFFAOYSA-N
MW421.51 g/mol
LogP4.05
Rot. Bonds4

About 1-methyl-3-quinolin-5-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide

1-methyl-3-quinolin-5-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (PubChem CID 71259367) has the molecular formula C20H15N5O2S2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 1-methyl-3-quinolin-5-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-3-quinolin-5-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
PubChem CID71259367
Molecular FormulaC20H15N5O2S2
Molecular Weight421.51 g/mol
Exact Mass421.07
IUPAC Name1-methyl-3-quinolin-5-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCn1cc(-c2cccc3ncccc23)c2ccc(S(=O)(=O)Nc3ncns3)cc21
InChIInChI=1S/C20H15N5O2S2/c1-25-11-17(14-4-2-6-18-15(14)5-3-9-21-18)16-8-7-13(10-19(16)25)29(26,27)24-20-22-12-23-28-20/h2-12H,1H3,(H,22,23,24)
InChIKeyFVLWULJPDVDJPT-UHFFFAOYSA-N
XLogP4.05
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-quinolin-5-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The IUPAC name of 1-methyl-3-quinolin-5-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (CID 71259367) is 1-methyl-3-quinolin-5-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.
What is the SMILES notation for 1-methyl-3-quinolin-5-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The canonical SMILES for 1-methyl-3-quinolin-5-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is Cn1cc(-c2cccc3ncccc23)c2ccc(S(=O)(=O)Nc3ncns3)cc21.
What is the InChIKey of 1-methyl-3-quinolin-5-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The InChIKey is FVLWULJPDVDJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2S2/c1-25-11-17(14-4-2-6-18-15(14)5-3-9-21-18)16-8-7-13(10-19(16)25)29(26,27)24-20-22-12-23-28-20/h2-12H,1H3,(H,22,23,24).
What are the key properties of 1-methyl-3-quinolin-5-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
1-methyl-3-quinolin-5-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide has a molecular weight of 421.51 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-quinolin-5-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is sourced from PubChem (CID 71259367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).