N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide

C17H17N3O4S — CID 53042625

IUPACN-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(-c3noc(C)n3)c2)cc1
InChIInChI=1S/C17H17N3O4S/c1-3-23-15-9-7-14(8-10-15)20-25(21,22)16-6-4-5-13(11-16)17-18-12(2)24-19-17/h4-11,20H,3H2,1-2H3
InChIKeyUBPMZMUPPDFOGC-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.24
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide

N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (PubChem CID 53042625) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
PubChem CID53042625
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(-c3noc(C)n3)c2)cc1
InChIInChI=1S/C17H17N3O4S/c1-3-23-15-9-7-14(8-10-15)20-25(21,22)16-6-4-5-13(11-16)17-18-12(2)24-19-17/h4-11,20H,3H2,1-2H3
InChIKeyUBPMZMUPPDFOGC-UHFFFAOYSA-N
XLogP3.24
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 53042636
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 46365646
N-(4-ethoxyphenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophene-3-sulfonamide
CID 50821332
3-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 7040417
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 50808247
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 53095647
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 55390832
N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 50839201
N-[4,5-dichloro-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 57383064
3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 35032875

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide (CID 53042625) is N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2cccc(-c3noc(C)n3)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
The InChIKey is UBPMZMUPPDFOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-3-23-15-9-7-14(8-10-15)20-25(21,22)16-6-4-5-13(11-16)17-18-12(2)24-19-17/h4-11,20H,3H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide?
N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide has a molecular weight of 359.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 53042625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).