N-(6-methyl-2-pyridinyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide

C21H17N3O3S — CID 74226397

IUPACN-(6-methyl-2-pyridinyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)n1
InChIInChI=1S/C21H17N3O3S/c1-15-9-8-14-18(22-15)24-28(25,26)21-19(16-10-4-2-5-11-16)27-20(23-21)17-12-6-3-7-13-17/h2-14H,1H3,(H,22,24)
InChIKeyRCXCYUKYSWEYKM-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.51
Rot. Bonds5

About N-(6-methyl-2-pyridinyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide

N-(6-methyl-2-pyridinyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide (PubChem CID 74226397) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
PubChem CID74226397
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-(6-methyl-2-pyridinyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)n1
InChIInChI=1S/C21H17N3O3S/c1-15-9-8-14-18(22-15)24-28(25,26)21-19(16-10-4-2-5-11-16)27-20(23-21)17-12-6-3-7-13-17/h2-14H,1H3,(H,22,24)
InChIKeyRCXCYUKYSWEYKM-UHFFFAOYSA-N
XLogP4.51
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide (CID 74226397) is N-(6-methyl-2-pyridinyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide is Cc1cccc(NS(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccccc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The InChIKey is RCXCYUKYSWEYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-15-9-8-14-18(22-15)24-28(25,26)21-19(16-10-4-2-5-11-16)27-20(23-21)17-12-6-3-7-13-17/h2-14H,1H3,(H,22,24).
What are the key properties of N-(6-methyl-2-pyridinyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
N-(6-methyl-2-pyridinyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide has a molecular weight of 391.45 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide is sourced from PubChem (CID 74226397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).