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

C48H40F8N8O8S4 — CID 168911762

IUPAC2,4-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
SMILESCNS(=O)(=O)c1ccc(F)c(/C2=C3\CC/C(=C(\c4c(F)ccc(S(=O)(=O)NC)c4F)c4ccc([nH]4)/C(c4c(F)ccc(S(=O)(=O)NC)c4F)=C4/CC/C(=C(\c5c(F)ccc(S(=O)(=O)NC)c5F)c5ccc2[nH]5)N4)N3)c1F
InChIInChI=1S/C48H40F8N8O8S4/c1-57-73(65,66)33-17-5-21(49)37(45(33)53)41-25-9-11-27(61-25)42(38-22(50)6-18-34(46(38)54)74(67,68)58-2)29-13-15-31(63-29)44(40-24(52)8-20-36(48(40)56)76(71,72)60-4)32-16-14-30(64-32)43(28-12-10-26(41)62-28)39-23(51)7-19-35(47(39)55)75(69,70)59-3/h5-9,11,14,16-20,57-64H,10,12-13,15H2,1-4H3/b41-26+,42-29+,43-28+,44-31+
InChIKeyFAOJOOWHQUBNNG-JAPVMKFYSA-N
MW1137.15 g/mol
LogP6.61
Rot. Bonds12

About 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

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 (PubChem CID 168911762) has the molecular formula C48H40F8N8O8S4 and a molecular weight of 1137.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID168911762
Molecular FormulaC48H40F8N8O8S4
Molecular Weight1137.15 g/mol
Exact Mass1136.17
IUPAC Name2,4-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
SMILESCNS(=O)(=O)c1ccc(F)c(/C2=C3\CC/C(=C(\c4c(F)ccc(S(=O)(=O)NC)c4F)c4ccc([nH]4)/C(c4c(F)ccc(S(=O)(=O)NC)c4F)=C4/CC/C(=C(\c5c(F)ccc(S(=O)(=O)NC)c5F)c5ccc2[nH]5)N4)N3)c1F
InChIInChI=1S/C48H40F8N8O8S4/c1-57-73(65,66)33-17-5-21(49)37(45(33)53)41-25-9-11-27(61-25)42(38-22(50)6-18-34(46(38)54)74(67,68)58-2)29-13-15-31(63-29)44(40-24(52)8-20-36(48(40)56)76(71,72)60-4)32-16-14-30(64-32)43(28-12-10-26(41)62-28)39-23(51)7-19-35(47(39)55)75(69,70)59-3/h5-9,11,14,16-20,57-64H,10,12-13,15H2,1-4H3/b41-26+,42-29+,43-28+,44-31+
InChIKeyFAOJOOWHQUBNNG-JAPVMKFYSA-N
XLogP6.61
TPSA240.32 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001137.15
LogP ≤ 56.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 124926790
3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 58961149
2-fluoro-N-methyl-5-(5-oxopyrrolidin-2-yl)benzenesulfonamide
CID 165441075
2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 142108163
2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 170112817
5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide
CID 125454362
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 165446474
4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide
CID 67225169
5-amino-2-(4-fluoro-3-methylanilino)-N-methylbenzenesulfonamide
CID 103287011
2,3,4-trifluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118102

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNS(=O)(=O)c1ccc(F)c(/C2=C3\CC/C(=C(\c4c(F)ccc(S(=O)(=O)NC)c4F)c4ccc([nH]4)/C(c4c(F)ccc(S(=O)(=O)NC)c4F)=C4/CC/C(=C(\c5c(F)ccc(S(=O)(=O)NC)c5F)c5ccc2[nH]5)N4)N3)c1F.
What is the InChIKey of 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?
The InChIKey is FAOJOOWHQUBNNG-JAPVMKFYSA-N. The full InChI is InChI=1S/C48H40F8N8O8S4/c1-57-73(65,66)33-17-5-21(49)37(45(33)53)41-25-9-11-27(61-25)42(38-22(50)6-18-34(46(38)54)74(67,68)58-2)29-13-15-31(63-29)44(40-24(52)8-20-36(48(40)56)76(71,72)60-4)32-16-14-30(64-32)43(28-12-10-26(41)62-28)39-23(51)7-19-35(47(39)55)75(69,70)59-3/h5-9,11,14,16-20,57-64H,10,12-13,15H2,1-4H3/b41-26+,42-29+,43-28+,44-31+.
What are the key properties of 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?
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 has a molecular weight of 1137.15 g/mol, XLogP of 6.61, 12 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168911762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).