2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide

C22H20N4O2S — CID 70069654

IUPAC2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(-c2nc(-c3cccnc3)c(C)[nH]2)cc1
InChIInChI=1S/C22H20N4O2S/c1-15-6-3-4-8-20(15)29(27,28)26-19-11-9-17(10-12-19)22-24-16(2)21(25-22)18-7-5-13-23-14-18/h3-14,26H,1-2H3,(H,24,25)
InChIKeyUSKVUNWNNKOJPL-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.56
Rot. Bonds5

About 2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide

2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 70069654) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide
PubChem CID70069654
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(-c2nc(-c3cccnc3)c(C)[nH]2)cc1
InChIInChI=1S/C22H20N4O2S/c1-15-6-3-4-8-20(15)29(27,28)26-19-11-9-17(10-12-19)22-24-16(2)21(25-22)18-7-5-13-23-14-18/h3-14,26H,1-2H3,(H,24,25)
InChIKeyUSKVUNWNNKOJPL-UHFFFAOYSA-N
XLogP4.56
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide (CID 70069654) is 2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc(-c2nc(-c3cccnc3)c(C)[nH]2)cc1.
What is the InChIKey of 2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is USKVUNWNNKOJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-15-6-3-4-8-20(15)29(27,28)26-19-11-9-17(10-12-19)22-24-16(2)21(25-22)18-7-5-13-23-14-18/h3-14,26H,1-2H3,(H,24,25).
What are the key properties of 2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide?
2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 404.50 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 70069654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).