N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide

C26H24N2O6S3 — CID 2833501

IUPACN-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c1
InChIInChI=1S/C26H24N2O6S3/c1-19-9-3-5-15-25(19)27-36(31,32)23-13-7-11-21(17-23)35(29,30)22-12-8-14-24(18-22)37(33,34)28-26-16-6-4-10-20(26)2/h3-18,27-28H,1-2H3
InChIKeyKGAMALJFNVSUIS-UHFFFAOYSA-N
MW556.69 g/mol
LogP4.74
Rot. Bonds8

About N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide

N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide (PubChem CID 2833501) has the molecular formula C26H24N2O6S3 and a molecular weight of 556.69 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
PubChem CID2833501
Molecular FormulaC26H24N2O6S3
Molecular Weight556.69 g/mol
Exact Mass556.08
IUPAC NameN-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c1
InChIInChI=1S/C26H24N2O6S3/c1-19-9-3-5-15-25(19)27-36(31,32)23-13-7-11-21(17-23)35(29,30)22-12-8-14-24(18-22)37(33,34)28-26-16-6-4-10-20(26)2/h3-18,27-28H,1-2H3
InChIKeyKGAMALJFNVSUIS-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-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide
CID 1355590
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N,N-diethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 109065077
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
9-hydroxyimino-2-N,7-N-bis(2-methylphenyl)fluorene-2,7-disulfonamide
CID 1159157
N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 95234534
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide?
The IUPAC name of N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide (CID 2833501) is N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide?
The canonical SMILES for N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c1.
What is the InChIKey of N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide?
The InChIKey is KGAMALJFNVSUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S3/c1-19-9-3-5-15-25(19)27-36(31,32)23-13-7-11-21(17-23)35(29,30)22-12-8-14-24(18-22)37(33,34)28-26-16-6-4-10-20(26)2/h3-18,27-28H,1-2H3.
What are the key properties of N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide?
N-(2-methylphenyl)-3-[3-[(2-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-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 2833501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).