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

C21H16N4O2S2 — CID 71259285

IUPAC1-methyl-3-naphthalen-1-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCn1cc(-c2cccc3ccccc23)c2ccc(S(=O)(=O)Nc3ncns3)cc21
InChIInChI=1S/C21H16N4O2S2/c1-25-12-19(17-8-4-6-14-5-2-3-7-16(14)17)18-10-9-15(11-20(18)25)29(26,27)24-21-22-13-23-28-21/h2-13H,1H3,(H,22,23,24)
InChIKeyHDIGSTSACBKTDQ-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.65
Rot. Bonds4

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

1-methyl-3-naphthalen-1-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (PubChem CID 71259285) has the molecular formula C21H16N4O2S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 1-methyl-3-naphthalen-1-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-3-naphthalen-1-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
PubChem CID71259285
Molecular FormulaC21H16N4O2S2
Molecular Weight420.52 g/mol
Exact Mass420.07
IUPAC Name1-methyl-3-naphthalen-1-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide
SMILESCn1cc(-c2cccc3ccccc23)c2ccc(S(=O)(=O)Nc3ncns3)cc21
InChIInChI=1S/C21H16N4O2S2/c1-25-12-19(17-8-4-6-14-5-2-3-7-16(14)17)18-10-9-15(11-20(18)25)29(26,27)24-21-22-13-23-28-21/h2-13H,1H3,(H,22,23,24)
InChIKeyHDIGSTSACBKTDQ-UHFFFAOYSA-N
XLogP4.65
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-naphthalen-1-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The IUPAC name of 1-methyl-3-naphthalen-1-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide (CID 71259285) is 1-methyl-3-naphthalen-1-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide.
What is the SMILES notation for 1-methyl-3-naphthalen-1-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The canonical SMILES for 1-methyl-3-naphthalen-1-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is Cn1cc(-c2cccc3ccccc23)c2ccc(S(=O)(=O)Nc3ncns3)cc21.
What is the InChIKey of 1-methyl-3-naphthalen-1-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
The InChIKey is HDIGSTSACBKTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S2/c1-25-12-19(17-8-4-6-14-5-2-3-7-16(14)17)18-10-9-15(11-20(18)25)29(26,27)24-21-22-13-23-28-21/h2-13H,1H3,(H,22,23,24).
What are the key properties of 1-methyl-3-naphthalen-1-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide?
1-methyl-3-naphthalen-1-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide has a molecular weight of 420.52 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-naphthalen-1-yl-N-(1,2,4-thiadiazol-5-yl)indole-6-sulfonamide is sourced from PubChem (CID 71259285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).