3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide

C20H15ClN6O2S2 — CID 71263836

IUPAC3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide
SMILESCn1nccc1-c1cc(Cl)ccc1-c1c[nH]c2cc(S(=O)(=O)Nc3ncns3)ccc12
InChIInChI=1S/C20H15ClN6O2S2/c1-27-19(6-7-24-27)16-8-12(21)2-4-14(16)17-10-22-18-9-13(3-5-15(17)18)31(28,29)26-20-23-11-25-30-20/h2-11,22H,1H3,(H,23,25,26)
InChIKeyBDYASZPNXBPNKB-UHFFFAOYSA-N
MW470.97 g/mol
LogP4.54
Rot. Bonds5

About 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide

3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide (PubChem CID 71263836) has the molecular formula C20H15ClN6O2S2 and a molecular weight of 470.97 g/mol. Its IUPAC name is 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide.

Molecular Properties

Compound Name3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide
PubChem CID71263836
Molecular FormulaC20H15ClN6O2S2
Molecular Weight470.97 g/mol
Exact Mass470.04
IUPAC Name3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide
SMILESCn1nccc1-c1cc(Cl)ccc1-c1c[nH]c2cc(S(=O)(=O)Nc3ncns3)ccc12
InChIInChI=1S/C20H15ClN6O2S2/c1-27-19(6-7-24-27)16-8-12(21)2-4-14(16)17-10-22-18-9-13(3-5-15(17)18)31(28,29)26-20-23-11-25-30-20/h2-11,22H,1H3,(H,23,25,26)
InChIKeyBDYASZPNXBPNKB-UHFFFAOYSA-N
XLogP4.54
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.97
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide?
The IUPAC name of 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide (CID 71263836) is 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide.
What is the SMILES notation for 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide?
The canonical SMILES for 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide is Cn1nccc1-c1cc(Cl)ccc1-c1c[nH]c2cc(S(=O)(=O)Nc3ncns3)ccc12.
What is the InChIKey of 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide?
The InChIKey is BDYASZPNXBPNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6O2S2/c1-27-19(6-7-24-27)16-8-12(21)2-4-14(16)17-10-22-18-9-13(3-5-15(17)18)31(28,29)26-20-23-11-25-30-20/h2-11,22H,1H3,(H,23,25,26).
What are the key properties of 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide?
3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide has a molecular weight of 470.97 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)-1H-indole-6-sulfonamide is sourced from PubChem (CID 71263836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).