N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide

C17H16N2O4S — CID 1480806

IUPACN-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(CNS(=O)(=O)c3ccccc3)on2)cc1
InChIInChI=1S/C17H16N2O4S/c1-22-14-9-7-13(8-10-14)17-11-15(23-19-17)12-18-24(20,21)16-5-3-2-4-6-16/h2-11,18H,12H2,1H3
InChIKeyGHLQJCUCOQSQFJ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.83
Rot. Bonds6

About N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide

N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide (PubChem CID 1480806) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide
PubChem CID1480806
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(CNS(=O)(=O)c3ccccc3)on2)cc1
InChIInChI=1S/C17H16N2O4S/c1-22-14-9-7-13(8-10-14)17-11-15(23-19-17)12-18-24(20,21)16-5-3-2-4-6-16/h2-11,18H,12H2,1H3
InChIKeyGHLQJCUCOQSQFJ-UHFFFAOYSA-N
XLogP2.83
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide (CID 1480806) is N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide is COc1ccc(-c2cc(CNS(=O)(=O)c3ccccc3)on2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is GHLQJCUCOQSQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-22-14-9-7-13(8-10-14)17-11-15(23-19-17)12-18-24(20,21)16-5-3-2-4-6-16/h2-11,18H,12H2,1H3.
What are the key properties of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 1480806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).