2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide

C20H21N3O2S — CID 121165596

IUPAC2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2ccnc(-c3ccncc3)c2)c(C)c1
InChIInChI=1S/C20H21N3O2S/c1-14-10-15(2)20(16(3)11-14)26(24,25)23-13-17-4-9-22-19(12-17)18-5-7-21-8-6-18/h4-12,23H,13H2,1-3H3
InChIKeyBSKWTTNNHOUAPI-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.55
Rot. Bonds5

About 2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide

2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 121165596) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID121165596
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2ccnc(-c3ccncc3)c2)c(C)c1
InChIInChI=1S/C20H21N3O2S/c1-14-10-15(2)20(16(3)11-14)26(24,25)23-13-17-4-9-22-19(12-17)18-5-7-21-8-6-18/h4-12,23H,13H2,1-3H3
InChIKeyBSKWTTNNHOUAPI-UHFFFAOYSA-N
XLogP3.55
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165638
4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165646
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 121018139
2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 55872466
2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165448
3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625699
2,4,6-trimethyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 90628068
2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91630155
2,6-difluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166004
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 122263139
N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 668979
dimethyl-[[4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
CID 9191357

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide (CID 121165596) is 2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2ccnc(-c3ccncc3)c2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is BSKWTTNNHOUAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-10-15(2)20(16(3)11-14)26(24,25)23-13-17-4-9-22-19(12-17)18-5-7-21-8-6-18/h4-12,23H,13H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide?
2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 121165596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).