4-chloro-N-propyl-3-[10,15,20-tris[2-chloro-5-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide

C56H54Cl4N8O8S4 — CID 136814601

IUPAC4-chloro-N-propyl-3-[10,15,20-tris[2-chloro-5-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Cl)c(-c2c3nc(c(-c4cc(S(=O)(=O)NCCC)ccc4Cl)c4ccc([nH]4)c(-c4cc(S(=O)(=O)NCCC)ccc4Cl)c4nc(c(-c5cc(S(=O)(=O)NCCC)ccc5Cl)c5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C56H54Cl4N8O8S4/c1-5-25-61-77(69,70)33-9-13-41(57)37(29-33)53-45-17-19-47(65-45)54(38-30-34(10-14-42(38)58)78(71,72)62-26-6-2)49-21-23-51(67-49)56(40-32-36(12-16-44(40)60)80(75,76)64-28-8-4)52-24-22-50(68-52)55(48-20-18-46(53)66-48)39-31-35(11-15-43(39)59)79(73,74)63-27-7-3/h9-24,29-32,61-65,68H,5-8,25-28H2,1-4H3/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-
InChIKeyJXECTHDMKIDXIQ-YFLSTINXSA-N
MW1237.18 g/mol
LogP12.69
Rot. Bonds20

About 4-chloro-N-propyl-3-[10,15,20-tris[2-chloro-5-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide

4-chloro-N-propyl-3-[10,15,20-tris[2-chloro-5-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide (PubChem CID 136814601) has the molecular formula C56H54Cl4N8O8S4 and a molecular weight of 1237.18 g/mol. Its IUPAC name is 4-chloro-N-propyl-3-[10,15,20-tris[2-chloro-5-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-propyl-3-[10,15,20-tris[2-chloro-5-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide
PubChem CID136814601
Molecular FormulaC56H54Cl4N8O8S4
Molecular Weight1237.18 g/mol
Exact Mass1234.17
IUPAC Name4-chloro-N-propyl-3-[10,15,20-tris[2-chloro-5-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Cl)c(-c2c3nc(c(-c4cc(S(=O)(=O)NCCC)ccc4Cl)c4ccc([nH]4)c(-c4cc(S(=O)(=O)NCCC)ccc4Cl)c4nc(c(-c5cc(S(=O)(=O)NCCC)ccc5Cl)c5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C56H54Cl4N8O8S4/c1-5-25-61-77(69,70)33-9-13-41(57)37(29-33)53-45-17-19-47(65-45)54(38-30-34(10-14-42(38)58)78(71,72)62-26-6-2)49-21-23-51(67-49)56(40-32-36(12-16-44(40)60)80(75,76)64-28-8-4)52-24-22-50(68-52)55(48-20-18-46(53)66-48)39-31-35(11-15-43(39)59)79(73,74)63-27-7-3/h9-24,29-32,61-65,68H,5-8,25-28H2,1-4H3/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-
InChIKeyJXECTHDMKIDXIQ-YFLSTINXSA-N
XLogP12.69
TPSA242.04 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001237.18
LogP ≤ 512.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Related Compounds

4-chloro-N-methyl-3-[10,15,20-tris[2-chloro-5-(methylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide
CID 136814599
2-chloro-N-propyl-3-[10,15,20-tris[2-chloro-3-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide
CID 136814596
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide
CID 123954674
N-[2-(diethylamino)ethyl]-4-[7,12,17-tris[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzenesulfonamide;2,7,12,17-tetraphenyl-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene
CID 159762378
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
5,10,15,20-tetrakis(4-dodecylsulfonylphenyl)-21,23-dihydroporphyrin
CID 136900324
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 110359442
3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
CID 87814655
4-(2-chloro-6-methoxyphenyl)-3-propan-2-yl-N-propylbenzenesulfonamide
CID 166940341
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689
2,5-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17320181

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propyl-3-[10,15,20-tris[2-chloro-5-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-propyl-3-[10,15,20-tris[2-chloro-5-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide (CID 136814601) is 4-chloro-N-propyl-3-[10,15,20-tris[2-chloro-5-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-propyl-3-[10,15,20-tris[2-chloro-5-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-propyl-3-[10,15,20-tris[2-chloro-5-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide is CCCNS(=O)(=O)c1ccc(Cl)c(-c2c3nc(c(-c4cc(S(=O)(=O)NCCC)ccc4Cl)c4ccc([nH]4)c(-c4cc(S(=O)(=O)NCCC)ccc4Cl)c4nc(c(-c5cc(S(=O)(=O)NCCC)ccc5Cl)c5ccc2[nH]5)C=C4)C=C3)c1.
What is the InChIKey of 4-chloro-N-propyl-3-[10,15,20-tris[2-chloro-5-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide?
The InChIKey is JXECTHDMKIDXIQ-YFLSTINXSA-N. The full InChI is InChI=1S/C56H54Cl4N8O8S4/c1-5-25-61-77(69,70)33-9-13-41(57)37(29-33)53-45-17-19-47(65-45)54(38-30-34(10-14-42(38)58)78(71,72)62-26-6-2)49-21-23-51(67-49)56(40-32-36(12-16-44(40)60)80(75,76)64-28-8-4)52-24-22-50(68-52)55(48-20-18-46(53)66-48)39-31-35(11-15-43(39)59)79(73,74)63-27-7-3/h9-24,29-32,61-65,68H,5-8,25-28H2,1-4H3/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-.
What are the key properties of 4-chloro-N-propyl-3-[10,15,20-tris[2-chloro-5-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide?
4-chloro-N-propyl-3-[10,15,20-tris[2-chloro-5-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide has a molecular weight of 1237.18 g/mol, XLogP of 12.69, 20 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propyl-3-[10,15,20-tris[2-chloro-5-(propylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide is sourced from PubChem (CID 136814601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).