1-[[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide

C21H19ClN6O2S2 — CID 74221063

IUPAC1-[[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc2c(cnn2Cc2ccc(Cl)cc2C2=CCNCC2)c1
InChIInChI=1S/C21H19ClN6O2S2/c22-17-2-1-15(19(10-17)14-5-7-23-8-6-14)12-28-20-4-3-18(9-16(20)11-25-28)32(29,30)27-21-24-13-26-31-21/h1-5,9-11,13,23H,6-8,12H2,(H,24,26,27)
InChIKeyXIPAUKCVSFMVIT-UHFFFAOYSA-N
MW487.01 g/mol
LogP3.77
Rot. Bonds6

About 1-[[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide

1-[[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide (PubChem CID 74221063) has the molecular formula C21H19ClN6O2S2 and a molecular weight of 487.01 g/mol. Its IUPAC name is 1-[[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide.

Molecular Properties

Compound Name1-[[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide
PubChem CID74221063
Molecular FormulaC21H19ClN6O2S2
Molecular Weight487.01 g/mol
Exact Mass486.07
IUPAC Name1-[[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc2c(cnn2Cc2ccc(Cl)cc2C2=CCNCC2)c1
InChIInChI=1S/C21H19ClN6O2S2/c22-17-2-1-15(19(10-17)14-5-7-23-8-6-14)12-28-20-4-3-18(9-16(20)11-25-28)32(29,30)27-21-24-13-26-31-21/h1-5,9-11,13,23H,6-8,12H2,(H,24,26,27)
InChIKeyXIPAUKCVSFMVIT-UHFFFAOYSA-N
XLogP3.77
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.01
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide?
The IUPAC name of 1-[[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide (CID 74221063) is 1-[[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide.
What is the SMILES notation for 1-[[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide?
The canonical SMILES for 1-[[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide is O=S(=O)(Nc1ncns1)c1ccc2c(cnn2Cc2ccc(Cl)cc2C2=CCNCC2)c1.
What is the InChIKey of 1-[[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide?
The InChIKey is XIPAUKCVSFMVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2S2/c22-17-2-1-15(19(10-17)14-5-7-23-8-6-14)12-28-20-4-3-18(9-16(20)11-25-28)32(29,30)27-21-24-13-26-31-21/h1-5,9-11,13,23H,6-8,12H2,(H,24,26,27).
What are the key properties of 1-[[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide?
1-[[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide has a molecular weight of 487.01 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide is sourced from PubChem (CID 74221063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).