2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide

C20H24N4O2S — CID 55913357

IUPAC2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccnc(-n3ccnc3C)c2)c1C
InChIInChI=1S/C20H24N4O2S/c1-13-10-14(2)16(4)20(15(13)3)27(25,26)23-12-18-6-7-22-19(11-18)24-9-8-21-17(24)5/h6-11,23H,12H2,1-5H3
InChIKeyQWARTVICHSEBTN-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.29
Rot. Bonds5

About 2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide (PubChem CID 55913357) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
PubChem CID55913357
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccnc(-n3ccnc3C)c2)c1C
InChIInChI=1S/C20H24N4O2S/c1-13-10-14(2)16(4)20(15(13)3)27(25,26)23-12-18-6-7-22-19(11-18)24-9-8-21-17(24)5/h6-11,23H,12H2,1-5H3
InChIKeyQWARTVICHSEBTN-UHFFFAOYSA-N
XLogP3.29
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 55906894
4-methoxy-2,5-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 51121171
3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide
CID 55717730
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
CID 55849533
2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 55872466
2,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pyrimidin-4-amine
CID 167795619
N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 3350603
(E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide
CID 94122258
N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206221
N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 7938177
2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583669
4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 100691010

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide (CID 55913357) is 2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccnc(-n3ccnc3C)c2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is QWARTVICHSEBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-13-10-14(2)16(4)20(15(13)3)27(25,26)23-12-18-6-7-22-19(11-18)24-9-8-21-17(24)5/h6-11,23H,12H2,1-5H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 384.51 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 55913357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).