2,2,2-tris[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide

C50H32F9N7O7S3 — CID 150376480

IUPAC2,2,2-tris[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)C(c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12)(c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C50H32F9N7O7S3/c51-48(52,53)31-16-19-40(74(68,69)64-37-13-1-7-28-10-4-22-61-43(28)37)34(25-31)47(46(60)67,35-26-32(49(54,55)56)17-20-41(35)75(70,71)65-38-14-2-8-29-11-5-23-62-44(29)38)36-27-33(50(57,58)59)18-21-42(36)76(72,73)66-39-15-3-9-30-12-6-24-63-45(30)39/h1-27,64-66H,(H2,60,67)
InChIKeyGYUQLVCGOAANJB-UHFFFAOYSA-N
MW1110.03 g/mol
LogP10.61
Rot. Bonds13

About 2,2,2-tris[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide

2,2,2-tris[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 150376480) has the molecular formula C50H32F9N7O7S3 and a molecular weight of 1110.03 g/mol. Its IUPAC name is 2,2,2-tris[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-tris[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID150376480
Molecular FormulaC50H32F9N7O7S3
Molecular Weight1110.03 g/mol
Exact Mass1109.14
IUPAC Name2,2,2-tris[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)C(c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12)(c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C50H32F9N7O7S3/c51-48(52,53)31-16-19-40(74(68,69)64-37-13-1-7-28-10-4-22-61-43(28)37)34(25-31)47(46(60)67,35-26-32(49(54,55)56)17-20-41(35)75(70,71)65-38-14-2-8-29-11-5-23-62-44(29)38)36-27-33(50(57,58)59)18-21-42(36)76(72,73)66-39-15-3-9-30-12-6-24-63-45(30)39/h1-27,64-66H,(H2,60,67)
InChIKeyGYUQLVCGOAANJB-UHFFFAOYSA-N
XLogP10.61
TPSA220.27 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001110.03
LogP ≤ 510.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-quinolin-8-yl-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 171466436
4-methyl-N-quinolin-8-yl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 171466493
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 24621400
2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 24629216
4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
CID 24502180
dimethyl 2-(quinolin-8-ylsulfamoyl)benzene-1,4-dicarboxylate
CID 24502183
N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide
CID 86800776
N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956077
4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866611
3-ethenyl-2-fluoro-N-quinolin-8-ylbenzenesulfonamide
CID 126516495

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tris[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2,2,2-tris[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide (CID 150376480) is 2,2,2-tris[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-tris[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2,2,2-tris[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide is NC(=O)C(c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12)(c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2,2,2-tris[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GYUQLVCGOAANJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32F9N7O7S3/c51-48(52,53)31-16-19-40(74(68,69)64-37-13-1-7-28-10-4-22-61-43(28)37)34(25-31)47(46(60)67,35-26-32(49(54,55)56)17-20-41(35)75(70,71)65-38-14-2-8-29-11-5-23-62-44(29)38)36-27-33(50(57,58)59)18-21-42(36)76(72,73)66-39-15-3-9-30-12-6-24-63-45(30)39/h1-27,64-66H,(H2,60,67).
What are the key properties of 2,2,2-tris[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide?
2,2,2-tris[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 1110.03 g/mol, XLogP of 10.61, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tris[2-(quinolin-8-ylsulfamoyl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 150376480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).