2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;molecular hydrogen

C20H18ClFN4O4S2 — CID 159402652

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;molecular hydrogen
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12.[H][H].[H][H]
InChIInChI=1S/C20H14ClFN4O4S2.2H2/c21-14-10-12(3-4-15(14)22)30-11-18(27)25-16-5-6-17(13-2-1-7-23-19(13)16)32(28,29)26-20-24-8-9-31-20;;/h1-10H,11H2,(H,24,26)(H,25,27);2*1H
InChIKeyLNNUVLXJXRIGHG-UHFFFAOYSA-N
MW496.97 g/mol
LogP4.79
Rot. Bonds7

About 2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;molecular hydrogen

2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;molecular hydrogen (PubChem CID 159402652) has the molecular formula C20H18ClFN4O4S2 and a molecular weight of 496.97 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;molecular hydrogen
PubChem CID159402652
Molecular FormulaC20H18ClFN4O4S2
Molecular Weight496.97 g/mol
Exact Mass496.04
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;molecular hydrogen
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12.[H][H].[H][H]
InChIInChI=1S/C20H14ClFN4O4S2.2H2/c21-14-10-12(3-4-15(14)22)30-11-18(27)25-16-5-6-17(13-2-1-7-23-19(13)16)32(28,29)26-20-24-8-9-31-20;;/h1-10H,11H2,(H,24,26)(H,25,27);2*1H
InChIKeyLNNUVLXJXRIGHG-UHFFFAOYSA-N
XLogP4.79
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.97
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]propanamide
CID 16051138
2-(3-chloro-4-fluorophenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide
CID 16051223
2-(3-chlorophenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide
CID 16051225
2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide
CID 16051227
2-(3-chlorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide
CID 16102140
2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide
CID 16051137
2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide
CID 16051229
1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)indole-5-sulfonamide
CID 15951116
1-[2-(3-chloro-4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 57542177
n-[4-(Thiazol-2-ylsulfamoyl)-phenyl]-2-(8-trifluoromethyl-quinolin-4-yloxy)-acetamide
CID 57936440
2-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 57936453
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-2-[7-(trifluoromethyl)quinolin-4-yl]oxyacetamide
CID 88543973

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;molecular hydrogen?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;molecular hydrogen (CID 159402652) is 2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;molecular hydrogen.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;molecular hydrogen?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;molecular hydrogen is O=C(COc1ccc(F)c(Cl)c1)Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12.[H][H].[H][H].
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;molecular hydrogen?
The InChIKey is LNNUVLXJXRIGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O4S2.2H2/c21-14-10-12(3-4-15(14)22)30-11-18(27)25-16-5-6-17(13-2-1-7-23-19(13)16)32(28,29)26-20-24-8-9-31-20;;/h1-10H,11H2,(H,24,26)(H,25,27);2*1H.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;molecular hydrogen?
2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;molecular hydrogen has a molecular weight of 496.97 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 159402652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).