4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

C18H19N3O4S — CID 100761906

IUPAC4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)c(C)c1C
InChIInChI=1S/C18H19N3O4S/c1-12-13(2)16(10-9-15(12)24-3)26(22,23)19-11-17-20-18(21-25-17)14-7-5-4-6-8-14/h4-10,19H,11H2,1-3H3
InChIKeyHAILZAJTFXPDQQ-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.84
Rot. Bonds6

About 4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 100761906) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
PubChem CID100761906
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)c(C)c1C
InChIInChI=1S/C18H19N3O4S/c1-12-13(2)16(10-9-15(12)24-3)26(22,23)19-11-17-20-18(21-25-17)14-7-5-4-6-8-14/h4-10,19H,11H2,1-3H3
InChIKeyHAILZAJTFXPDQQ-UHFFFAOYSA-N
XLogP2.84
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-methoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 50944642
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 4976105
5-chloro-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzenesulfonamide
CID 100749957
2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylbenzenesulfonamide
CID 110322963
methyl 4-chloro-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoate
CID 94064314
2,4-dimethoxy-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322786
5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110322583
3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322586
3-bromo-4-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 66485591
3-chloro-4-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 66485558
4-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322575
2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322827

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (CID 100761906) is 4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is HAILZAJTFXPDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12-13(2)16(10-9-15(12)24-3)26(22,23)19-11-17-20-18(21-25-17)14-7-5-4-6-8-14/h4-10,19H,11H2,1-3H3.
What are the key properties of 4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 373.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 100761906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).