2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide

C72H56F4N8O8S4 — CID 91278123

IUPAC2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C2=c3ccc([nH]3)=C(c3ccc(-c4ccccc4F)c(S(=O)(=O)NC)c3)c3ccc([nH]3)C(c3ccc(-c4ccccc4F)c(S(=O)(=O)NC)c3)=c3ccc([nH]3)=C(c3ccc(-c4ccccc4F)c(S(=O)(=O)NC)c3)c3ccc2[nH]3)ccc1-c1ccccc1F
InChIInChI=1S/C72H56F4N8O8S4/c1-77-93(85,86)65-37-41(21-25-49(65)45-13-5-9-17-53(45)73)69-57-29-31-59(81-57)70(42-22-26-50(46-14-6-10-18-54(46)74)66(38-42)94(87,88)78-2)61-33-35-63(83-61)72(44-24-28-52(48-16-8-12-20-56(48)76)68(40-44)96(91,92)80-4)64-36-34-62(84-64)71(60-32-30-58(69)82-60)43-23-27-51(47-15-7-11-19-55(47)75)67(39-43)95(89,90)79-3/h5-40,77-84H,1-4H3
InChIKeyYGGLOGMROCAOPQ-UHFFFAOYSA-N
MW1365.55 g/mol
LogP9.16
Rot. Bonds16

About 2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide

2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide (PubChem CID 91278123) has the molecular formula C72H56F4N8O8S4 and a molecular weight of 1365.55 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide
PubChem CID91278123
Molecular FormulaC72H56F4N8O8S4
Molecular Weight1365.55 g/mol
Exact Mass1364.30
IUPAC Name2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C2=c3ccc([nH]3)=C(c3ccc(-c4ccccc4F)c(S(=O)(=O)NC)c3)c3ccc([nH]3)C(c3ccc(-c4ccccc4F)c(S(=O)(=O)NC)c3)=c3ccc([nH]3)=C(c3ccc(-c4ccccc4F)c(S(=O)(=O)NC)c3)c3ccc2[nH]3)ccc1-c1ccccc1F
InChIInChI=1S/C72H56F4N8O8S4/c1-77-93(85,86)65-37-41(21-25-49(65)45-13-5-9-17-53(45)73)69-57-29-31-59(81-57)70(42-22-26-50(46-14-6-10-18-54(46)74)66(38-42)94(87,88)78-2)61-33-35-63(83-61)72(44-24-28-52(48-16-8-12-20-56(48)76)68(40-44)96(91,92)80-4)64-36-34-62(84-64)71(60-32-30-58(69)82-60)43-23-27-51(47-15-7-11-19-55(47)75)67(39-43)95(89,90)79-3/h5-40,77-84H,1-4H3
InChIKeyYGGLOGMROCAOPQ-UHFFFAOYSA-N
XLogP9.16
TPSA247.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001365.55
LogP ≤ 59.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide with MolForge

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Related Compounds

5,10,15,20-tetrakis(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin
CID 54211150
2,4-difluoro-N-methyl-3-[(1Z,4Z,10Z,14Z)-10,15,20-tris[2,6-difluoro-3-(methylsulfamoyl)phenyl]-2,3,12,13,21,22,23,24-octahydroporphyrin-5-yl]benzenesulfonamide
CID 168911762
5-[(2-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519696
N-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide
CID 68896231
2-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-N-methylbenzenesulfonamide
CID 90313870
2-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 162420977
5,10,15,20-tetrakis(2,3,4-triethylphenyl)-21,22,23,24-tetrahydroporphyrin
CID 154069250
2-fluoro-1-(2-fluorophenyl)-4-methylbenzene
CID 46313956
1-fluoro-2-[2-(4-methylphenyl)phenyl]benzene
CID 139250939
2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide
CID 138601746
2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide
CID 63495225
7-fluoro-N-(3-methyl-4-phenylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 166464347

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide?
The IUPAC name of 2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide (CID 91278123) is 2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide is CNS(=O)(=O)c1cc(C2=c3ccc([nH]3)=C(c3ccc(-c4ccccc4F)c(S(=O)(=O)NC)c3)c3ccc([nH]3)C(c3ccc(-c4ccccc4F)c(S(=O)(=O)NC)c3)=c3ccc([nH]3)=C(c3ccc(-c4ccccc4F)c(S(=O)(=O)NC)c3)c3ccc2[nH]3)ccc1-c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide?
The InChIKey is YGGLOGMROCAOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56F4N8O8S4/c1-77-93(85,86)65-37-41(21-25-49(65)45-13-5-9-17-53(45)73)69-57-29-31-59(81-57)70(42-22-26-50(46-14-6-10-18-54(46)74)66(38-42)94(87,88)78-2)61-33-35-63(83-61)72(44-24-28-52(48-16-8-12-20-56(48)76)68(40-44)96(91,92)80-4)64-36-34-62(84-64)71(60-32-30-58(69)82-60)43-23-27-51(47-15-7-11-19-55(47)75)67(39-43)95(89,90)79-3/h5-40,77-84H,1-4H3.
What are the key properties of 2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide?
2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide has a molecular weight of 1365.55 g/mol, XLogP of 9.16, 16 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-methyl-5-[10,15,20-tris[4-(2-fluorophenyl)-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]benzenesulfonamide is sourced from PubChem (CID 91278123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).