2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

C22H28N2O3S — CID 43069442

IUPAC2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2c(C)cccc2C(=O)N2CCCC2)c1C
InChIInChI=1S/C22H28N2O3S/c1-14-9-8-10-19(22(25)24-11-6-7-12-24)20(14)23-28(26,27)21-17(4)15(2)13-16(3)18(21)5/h8-10,13,23H,6-7,11-12H2,1-5H3
InChIKeyFYLJGEKZQAZAFI-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.27
Rot. Bonds4

About 2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 43069442) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID43069442
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2c(C)cccc2C(=O)N2CCCC2)c1C
InChIInChI=1S/C22H28N2O3S/c1-14-9-8-10-19(22(25)24-11-6-7-12-24)20(14)23-28(26,27)21-17(4)15(2)13-16(3)18(21)5/h8-10,13,23H,6-7,11-12H2,1-5H3
InChIKeyFYLJGEKZQAZAFI-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069430
methyl 4-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoate
CID 43069472
4-methyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide
CID 43069459
2,3,4-trifluoro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069416
dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 43069411
N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 121380359
4-chloro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 39837850
N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 43069476
2,3,5,6-tetramethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 55906508
1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide
CID 51135609
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
2,5-dichloro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55643315

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (CID 43069442) is 2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2c(C)cccc2C(=O)N2CCCC2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is FYLJGEKZQAZAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-14-9-8-10-19(22(25)24-11-6-7-12-24)20(14)23-28(26,27)21-17(4)15(2)13-16(3)18(21)5/h8-10,13,23H,6-7,11-12H2,1-5H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 400.54 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 43069442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).