4-methyl-N-(5,10,15,20-tetraphenyl-23H-porphyrin-21-yl)benzenesulfonamide

C51H37N5O2S — CID 15452897

IUPAC4-methyl-N-(5,10,15,20-tetraphenyl-23H-porphyrin-21-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nn2c3ccc2c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c3-c3ccccc3)C=C4)C=C2)cc1
InChIInChI=1S/C51H37N5O2S/c1-34-22-24-39(25-23-34)59(57,58)55-56-46-32-33-47(56)51(38-20-12-5-13-21-38)45-31-29-43(54-45)49(36-16-8-3-9-17-36)41-27-26-40(52-41)48(35-14-6-2-7-15-35)42-28-30-44(53-42)50(46)37-18-10-4-11-19-37/h2-33,52,55H,1H3/b48-40-,48-42-,49-41-,49-43-,50-44-,50-46-,51-45-,51-47-
InChIKeyCPHOKPRDNTURNG-QMTQPZJVSA-N
MW783.96 g/mol
LogP12.04
Rot. Bonds7

About 4-methyl-N-(5,10,15,20-tetraphenyl-23H-porphyrin-21-yl)benzenesulfonamide

4-methyl-N-(5,10,15,20-tetraphenyl-23H-porphyrin-21-yl)benzenesulfonamide (PubChem CID 15452897) has the molecular formula C51H37N5O2S and a molecular weight of 783.96 g/mol. Its IUPAC name is 4-methyl-N-(5,10,15,20-tetraphenyl-23H-porphyrin-21-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5,10,15,20-tetraphenyl-23H-porphyrin-21-yl)benzenesulfonamide
PubChem CID15452897
Molecular FormulaC51H37N5O2S
Molecular Weight783.96 g/mol
Exact Mass783.27
IUPAC Name4-methyl-N-(5,10,15,20-tetraphenyl-23H-porphyrin-21-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nn2c3ccc2c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c3-c3ccccc3)C=C4)C=C2)cc1
InChIInChI=1S/C51H37N5O2S/c1-34-22-24-39(25-23-34)59(57,58)55-56-46-32-33-47(56)51(38-20-12-5-13-21-38)45-31-29-43(54-45)49(36-16-8-3-9-17-36)41-27-26-40(52-41)48(35-14-6-2-7-15-35)42-28-30-44(53-42)50(46)37-18-10-4-11-19-37/h2-33,52,55H,1H3/b48-40-,48-42-,49-41-,49-43-,50-44-,50-46-,51-45-,51-47-
InChIKeyCPHOKPRDNTURNG-QMTQPZJVSA-N
XLogP12.04
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.96
LogP ≤ 512.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[10,15-diphenyl-20-(4-sulfophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonic acid
CID 135431079
23-methyl-5,10,15,20-tetrakis(4-methylphenyl)-21H-porphyrin
CID 11125302
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine
CID 135909432
15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
CID 57355028
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
tetrakis(4-methylbenzenesulfonic acid);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin
CID 155907175
24-(methylamino)-7,12,17-tris(4-methylphenyl)-2-phenyl-4-oxa-21,22,23-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),6,8,10,12,14,16(22),17,19-decaen-5-one
CID 135926381
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
10,15,20-tris(4-methylphenyl)-5-[3-(2-phenylethynyl)phenyl]-21,22-dihydroporphyrin
CID 10350158
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5,10,15,20-tetraphenyl-23H-porphyrin-21-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5,10,15,20-tetraphenyl-23H-porphyrin-21-yl)benzenesulfonamide (CID 15452897) is 4-methyl-N-(5,10,15,20-tetraphenyl-23H-porphyrin-21-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5,10,15,20-tetraphenyl-23H-porphyrin-21-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5,10,15,20-tetraphenyl-23H-porphyrin-21-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nn2c3ccc2c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c3-c3ccccc3)C=C4)C=C2)cc1.
What is the InChIKey of 4-methyl-N-(5,10,15,20-tetraphenyl-23H-porphyrin-21-yl)benzenesulfonamide?
The InChIKey is CPHOKPRDNTURNG-QMTQPZJVSA-N. The full InChI is InChI=1S/C51H37N5O2S/c1-34-22-24-39(25-23-34)59(57,58)55-56-46-32-33-47(56)51(38-20-12-5-13-21-38)45-31-29-43(54-45)49(36-16-8-3-9-17-36)41-27-26-40(52-41)48(35-14-6-2-7-15-35)42-28-30-44(53-42)50(46)37-18-10-4-11-19-37/h2-33,52,55H,1H3/b48-40-,48-42-,49-41-,49-43-,50-44-,50-46-,51-45-,51-47-.
What are the key properties of 4-methyl-N-(5,10,15,20-tetraphenyl-23H-porphyrin-21-yl)benzenesulfonamide?
4-methyl-N-(5,10,15,20-tetraphenyl-23H-porphyrin-21-yl)benzenesulfonamide has a molecular weight of 783.96 g/mol, XLogP of 12.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5,10,15,20-tetraphenyl-23H-porphyrin-21-yl)benzenesulfonamide is sourced from PubChem (CID 15452897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).