2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide

C23H26N2O4S2 — CID 22202725

IUPAC2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1
InChIInChI=1S/C23H26N2O4S2/c1-15-8-6-7-9-22(15)25-30(26,27)21-12-10-20(11-13-21)24-31(28,29)23-18(4)16(2)14-17(3)19(23)5/h6-14,24-25H,1-5H3
InChIKeyZJKRMRSQVPEBMV-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.83
Rot. Bonds6

About 2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide (PubChem CID 22202725) has the molecular formula C23H26N2O4S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
PubChem CID22202725
Molecular FormulaC23H26N2O4S2
Molecular Weight458.61 g/mol
Exact Mass458.13
IUPAC Name2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1
InChIInChI=1S/C23H26N2O4S2/c1-15-8-6-7-9-22(15)25-30(26,27)21-12-10-20(11-13-21)24-31(28,29)23-18(4)16(2)14-17(3)19(23)5/h6-14,24-25H,1-5H3
InChIKeyZJKRMRSQVPEBMV-UHFFFAOYSA-N
XLogP4.83
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 22772989
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22202709
N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43605525
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19683718
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683682
N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 22774422
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
3-methyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92671612
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 1319427
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 2336918
N-(2-methylphenyl)-3-[3-[(2-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 2833501

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide (CID 22202725) is 2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
The InChIKey is ZJKRMRSQVPEBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S2/c1-15-8-6-7-9-22(15)25-30(26,27)21-12-10-20(11-13-21)24-31(28,29)23-18(4)16(2)14-17(3)19(23)5/h6-14,24-25H,1-5H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide has a molecular weight of 458.61 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 22202725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).