N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide

C26H24N2O6S3 — CID 3091379

IUPACN-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3cccc(S(=O)(=O)Nc4cccc(C)c4)c3)c2)c1
InChIInChI=1S/C26H24N2O6S3/c1-19-7-3-9-21(15-19)27-36(31,32)25-13-5-11-23(17-25)35(29,30)24-12-6-14-26(18-24)37(33,34)28-22-10-4-8-20(2)16-22/h3-18,27-28H,1-2H3
InChIKeyXCXAGZAAEFBUHN-UHFFFAOYSA-N
MW556.69 g/mol
LogP4.74
Rot. Bonds8

About N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide

N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide (PubChem CID 3091379) has the molecular formula C26H24N2O6S3 and a molecular weight of 556.69 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
PubChem CID3091379
Molecular FormulaC26H24N2O6S3
Molecular Weight556.69 g/mol
Exact Mass556.08
IUPAC NameN-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3cccc(S(=O)(=O)Nc4cccc(C)c4)c3)c2)c1
InChIInChI=1S/C26H24N2O6S3/c1-19-7-3-9-21(15-19)27-36(31,32)25-13-5-11-23(17-25)35(29,30)24-12-6-14-26(18-24)37(33,34)28-22-10-4-8-20(2)16-22/h3-18,27-28H,1-2H3
InChIKeyXCXAGZAAEFBUHN-UHFFFAOYSA-N
XLogP4.74
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.69
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide
CID 1101032
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide
CID 1310237
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
N-(4-amino-3-bromophenyl)-3-methylbenzenesulfonamide
CID 82861740
3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
CID 51135051

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide?
The IUPAC name of N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide (CID 3091379) is N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide?
The canonical SMILES for N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3cccc(S(=O)(=O)Nc4cccc(C)c4)c3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide?
The InChIKey is XCXAGZAAEFBUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S3/c1-19-7-3-9-21(15-19)27-36(31,32)25-13-5-11-23(17-25)35(29,30)24-12-6-14-26(18-24)37(33,34)28-22-10-4-8-20(2)16-22/h3-18,27-28H,1-2H3.
What are the key properties of N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide?
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide has a molecular weight of 556.69 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 3091379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).