2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C19H14ClFN4O3S2 — CID 88544262

IUPAC2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cn1ccc2cc(F)c(Cl)cc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H14ClFN4O3S2/c20-15-10-17-12(9-16(15)21)5-7-25(17)11-18(26)23-13-1-3-14(4-2-13)30(27,28)24-19-22-6-8-29-19/h1-10H,11H2,(H,22,24)(H,23,26)
InChIKeyIPYUIYKGIIPUOU-UHFFFAOYSA-N
MW464.93 g/mol
LogP4.33
Rot. Bonds6

About 2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 88544262) has the molecular formula C19H14ClFN4O3S2 and a molecular weight of 464.93 g/mol. Its IUPAC name is 2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID88544262
Molecular FormulaC19H14ClFN4O3S2
Molecular Weight464.93 g/mol
Exact Mass464.02
IUPAC Name2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cn1ccc2cc(F)c(Cl)cc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H14ClFN4O3S2/c20-15-10-17-12(9-16(15)21)5-7-25(17)11-18(26)23-13-1-3-14(4-2-13)30(27,28)24-19-22-6-8-29-19/h1-10H,11H2,(H,22,24)(H,23,26)
InChIKeyIPYUIYKGIIPUOU-UHFFFAOYSA-N
XLogP4.33
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide 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 2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 88544262) is 2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is O=C(Cn1ccc2cc(F)c(Cl)cc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is IPYUIYKGIIPUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O3S2/c20-15-10-17-12(9-16(15)21)5-7-25(17)11-18(26)23-13-1-3-14(4-2-13)30(27,28)24-19-22-6-8-29-19/h1-10H,11H2,(H,22,24)(H,23,26).
What are the key properties of 2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 464.93 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 88544262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).