1-[[2-[(E)-3-aminoprop-1-enyl]-4-chlorophenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide

C19H17ClN6O2S2 — CID 74221061

IUPAC1-[[2-[(E)-3-aminoprop-1-enyl]-4-chlorophenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide
SMILESNC/C=C/c1cc(Cl)ccc1Cn1ncc2cc(S(=O)(=O)Nc3ncns3)ccc21
InChIInChI=1S/C19H17ClN6O2S2/c20-16-4-3-14(13(8-16)2-1-7-21)11-26-18-6-5-17(9-15(18)10-23-26)30(27,28)25-19-22-12-24-29-19/h1-6,8-10,12H,7,11,21H2,(H,22,24,25)/b2-1+
InChIKeyGJALFXKZEAXHHZ-OWOJBTEDSA-N
MW460.97 g/mol
LogP3.36
Rot. Bonds7

About 1-[[2-[(E)-3-aminoprop-1-enyl]-4-chlorophenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide

1-[[2-[(E)-3-aminoprop-1-enyl]-4-chlorophenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide (PubChem CID 74221061) has the molecular formula C19H17ClN6O2S2 and a molecular weight of 460.97 g/mol. Its IUPAC name is 1-[[2-[(E)-3-aminoprop-1-enyl]-4-chlorophenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide.

Molecular Properties

Compound Name1-[[2-[(E)-3-aminoprop-1-enyl]-4-chlorophenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide
PubChem CID74221061
Molecular FormulaC19H17ClN6O2S2
Molecular Weight460.97 g/mol
Exact Mass460.05
IUPAC Name1-[[2-[(E)-3-aminoprop-1-enyl]-4-chlorophenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide
SMILESNC/C=C/c1cc(Cl)ccc1Cn1ncc2cc(S(=O)(=O)Nc3ncns3)ccc21
InChIInChI=1S/C19H17ClN6O2S2/c20-16-4-3-14(13(8-16)2-1-7-21)11-26-18-6-5-17(9-15(18)10-23-26)30(27,28)25-19-22-12-24-29-19/h1-6,8-10,12H,7,11,21H2,(H,22,24,25)/b2-1+
InChIKeyGJALFXKZEAXHHZ-OWOJBTEDSA-N
XLogP3.36
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[2-[(E)-3-aminoprop-1-enyl]-4-chlorophenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(E)-3-aminoprop-1-enyl]-4-chlorophenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide?
The IUPAC name of 1-[[2-[(E)-3-aminoprop-1-enyl]-4-chlorophenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide (CID 74221061) is 1-[[2-[(E)-3-aminoprop-1-enyl]-4-chlorophenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide.
What is the SMILES notation for 1-[[2-[(E)-3-aminoprop-1-enyl]-4-chlorophenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide?
The canonical SMILES for 1-[[2-[(E)-3-aminoprop-1-enyl]-4-chlorophenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide is NC/C=C/c1cc(Cl)ccc1Cn1ncc2cc(S(=O)(=O)Nc3ncns3)ccc21.
What is the InChIKey of 1-[[2-[(E)-3-aminoprop-1-enyl]-4-chlorophenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide?
The InChIKey is GJALFXKZEAXHHZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C19H17ClN6O2S2/c20-16-4-3-14(13(8-16)2-1-7-21)11-26-18-6-5-17(9-15(18)10-23-26)30(27,28)25-19-22-12-24-29-19/h1-6,8-10,12H,7,11,21H2,(H,22,24,25)/b2-1+.
What are the key properties of 1-[[2-[(E)-3-aminoprop-1-enyl]-4-chlorophenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide?
1-[[2-[(E)-3-aminoprop-1-enyl]-4-chlorophenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide has a molecular weight of 460.97 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(E)-3-aminoprop-1-enyl]-4-chlorophenyl]methyl]-N-(1,2,4-thiadiazol-5-yl)indazole-5-sulfonamide is sourced from PubChem (CID 74221061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).