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

C17H16N2O4S — CID 20958760

IUPACN-(4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C)o3)cc2)cc1
InChIInChI=1S/C17H16N2O4S/c1-12-18-11-17(23-12)13-3-9-16(10-4-13)24(20,21)19-14-5-7-15(22-2)8-6-14/h3-11,19H,1-2H3
InChIKeyPREGEPYQTJAQDA-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.46
Rot. Bonds5

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

N-(4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 20958760) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID20958760
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-(4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C)o3)cc2)cc1
InChIInChI=1S/C17H16N2O4S/c1-12-18-11-17(23-12)13-3-9-16(10-4-13)24(20,21)19-14-5-7-15(22-2)8-6-14/h3-11,19H,1-2H3
InChIKeyPREGEPYQTJAQDA-UHFFFAOYSA-N
XLogP3.46
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 20958760) is N-(4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C)o3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is PREGEPYQTJAQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-12-18-11-17(23-12)13-3-9-16(10-4-13)24(20,21)19-14-5-7-15(22-2)8-6-14/h3-11,19H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-(4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20958760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).