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

C21H24N4O4S2 — CID 19683682

IUPAC2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCc1nccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)n1
InChIInChI=1S/C21H24N4O4S2/c1-13-12-14(2)16(4)21(15(13)3)31(28,29)24-18-6-8-19(9-7-18)30(26,27)25-20-10-11-22-17(5)23-20/h6-12,24H,1-5H3,(H,22,23,25)
InChIKeyWWMIPASDULDMBH-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.62
Rot. Bonds6

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

2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide (PubChem CID 19683682) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
PubChem CID19683682
Molecular FormulaC21H24N4O4S2
Molecular Weight460.58 g/mol
Exact Mass460.12
IUPAC Name2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
SMILESCc1nccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)n1
InChIInChI=1S/C21H24N4O4S2/c1-13-12-14(2)16(4)21(15(13)3)31(28,29)24-18-6-8-19(9-7-18)30(26,27)25-20-10-11-22-17(5)23-20/h6-12,24H,1-5H3,(H,22,23,25)
InChIKeyWWMIPASDULDMBH-UHFFFAOYSA-N
XLogP3.62
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683655
2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 22772989
3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide
CID 19683694
1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19683690
2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202725
2,3,5,6-tetramethyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 6462198
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19683718
4-methyl-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122316681
2,3,5,6-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 2147472
N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 104821325
2,3,5,6-tetramethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 17301180
4-cyano-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122316943

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide (CID 19683682) is 2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide is Cc1nccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)n1.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide?
The InChIKey is WWMIPASDULDMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-13-12-14(2)16(4)21(15(13)3)31(28,29)24-18-6-8-19(9-7-18)30(26,27)25-20-10-11-22-17(5)23-20/h6-12,24H,1-5H3,(H,22,23,25).
What are the key properties of 2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide has a molecular weight of 460.58 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 19683682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).