N-methyl-4-[2-[4-[[4-[2-(4-methylsulfonylphenyl)propan-2-yl]phenyl]sulfonylsulfamoyl]phenyl]propan-2-yl]benzenesulfonamide

C32H36N2O8S4 — CID 59994946

IUPACN-methyl-4-[2-[4-[[4-[2-(4-methylsulfonylphenyl)propan-2-yl]phenyl]sulfonylsulfamoyl]phenyl]propan-2-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(C)(C)c2ccc(S(=O)(=O)NS(=O)(=O)c3ccc(C(C)(C)c4ccc(S(C)(=O)=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H36N2O8S4/c1-31(2,23-7-15-27(16-8-23)43(6,35)36)25-11-19-29(20-12-25)45(39,40)34-46(41,42)30-21-13-26(14-22-30)32(3,4)24-9-17-28(18-10-24)44(37,38)33-5/h7-22,33-34H,1-6H3
InChIKeyONLONSIVRLAXOH-UHFFFAOYSA-N
MW704.91 g/mol
LogP4.32
Rot. Bonds11

About N-methyl-4-[2-[4-[[4-[2-(4-methylsulfonylphenyl)propan-2-yl]phenyl]sulfonylsulfamoyl]phenyl]propan-2-yl]benzenesulfonamide

N-methyl-4-[2-[4-[[4-[2-(4-methylsulfonylphenyl)propan-2-yl]phenyl]sulfonylsulfamoyl]phenyl]propan-2-yl]benzenesulfonamide (PubChem CID 59994946) has the molecular formula C32H36N2O8S4 and a molecular weight of 704.91 g/mol. Its IUPAC name is N-methyl-4-[2-[4-[[4-[2-(4-methylsulfonylphenyl)propan-2-yl]phenyl]sulfonylsulfamoyl]phenyl]propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[2-[4-[[4-[2-(4-methylsulfonylphenyl)propan-2-yl]phenyl]sulfonylsulfamoyl]phenyl]propan-2-yl]benzenesulfonamide
PubChem CID59994946
Molecular FormulaC32H36N2O8S4
Molecular Weight704.91 g/mol
Exact Mass704.14
IUPAC NameN-methyl-4-[2-[4-[[4-[2-(4-methylsulfonylphenyl)propan-2-yl]phenyl]sulfonylsulfamoyl]phenyl]propan-2-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(C)(C)c2ccc(S(=O)(=O)NS(=O)(=O)c3ccc(C(C)(C)c4ccc(S(C)(=O)=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H36N2O8S4/c1-31(2,23-7-15-27(16-8-23)43(6,35)36)25-11-19-29(20-12-25)45(39,40)34-46(41,42)30-21-13-26(14-22-30)32(3,4)24-9-17-28(18-10-24)44(37,38)33-5/h7-22,33-34H,1-6H3
InChIKeyONLONSIVRLAXOH-UHFFFAOYSA-N
XLogP4.32
TPSA160.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500704.91
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-aminopropan-2-yl)-N-methylbenzenesulfonamide
CID 84692052
4-acetyl-N-[4-[2-[4-(methylsulfamoyl)phenyl]propan-2-yl]phenyl]sulfonylbenzamide
CID 59994942
1-tert-butyl-4-methylsulfonylbenzene;ethane
CID 144874881
4-tert-butyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 5185775
1-(1,1-difluoroethyl)-4-methylsulfonylbenzene
CID 116841572
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
N-methyl-4-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83144551
potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
2,2,2-tris(4-methylsulfonylphenyl)acetaldehyde
CID 150870530
3-amino-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 67169234
1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene
CID 153290833
N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 43453835

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[4-[[4-[2-(4-methylsulfonylphenyl)propan-2-yl]phenyl]sulfonylsulfamoyl]phenyl]propan-2-yl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[2-[4-[[4-[2-(4-methylsulfonylphenyl)propan-2-yl]phenyl]sulfonylsulfamoyl]phenyl]propan-2-yl]benzenesulfonamide (CID 59994946) is N-methyl-4-[2-[4-[[4-[2-(4-methylsulfonylphenyl)propan-2-yl]phenyl]sulfonylsulfamoyl]phenyl]propan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[2-[4-[[4-[2-(4-methylsulfonylphenyl)propan-2-yl]phenyl]sulfonylsulfamoyl]phenyl]propan-2-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[2-[4-[[4-[2-(4-methylsulfonylphenyl)propan-2-yl]phenyl]sulfonylsulfamoyl]phenyl]propan-2-yl]benzenesulfonamide is CNS(=O)(=O)c1ccc(C(C)(C)c2ccc(S(=O)(=O)NS(=O)(=O)c3ccc(C(C)(C)c4ccc(S(C)(=O)=O)cc4)cc3)cc2)cc1.
What is the InChIKey of N-methyl-4-[2-[4-[[4-[2-(4-methylsulfonylphenyl)propan-2-yl]phenyl]sulfonylsulfamoyl]phenyl]propan-2-yl]benzenesulfonamide?
The InChIKey is ONLONSIVRLAXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O8S4/c1-31(2,23-7-15-27(16-8-23)43(6,35)36)25-11-19-29(20-12-25)45(39,40)34-46(41,42)30-21-13-26(14-22-30)32(3,4)24-9-17-28(18-10-24)44(37,38)33-5/h7-22,33-34H,1-6H3.
What are the key properties of N-methyl-4-[2-[4-[[4-[2-(4-methylsulfonylphenyl)propan-2-yl]phenyl]sulfonylsulfamoyl]phenyl]propan-2-yl]benzenesulfonamide?
N-methyl-4-[2-[4-[[4-[2-(4-methylsulfonylphenyl)propan-2-yl]phenyl]sulfonylsulfamoyl]phenyl]propan-2-yl]benzenesulfonamide has a molecular weight of 704.91 g/mol, XLogP of 4.32, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[4-[[4-[2-(4-methylsulfonylphenyl)propan-2-yl]phenyl]sulfonylsulfamoyl]phenyl]propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 59994946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).