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

C17H17N3O5S — CID 110418422

IUPAC2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3nc(C)no3)c2)c1
InChIInChI=1S/C17H17N3O5S/c1-11-18-17(25-19-11)12-5-4-6-13(9-12)20-26(21,22)16-10-14(23-2)7-8-15(16)24-3/h4-10,20H,1-3H3
InChIKeyJTESHYJWPPVSDY-UHFFFAOYSA-N
MW375.41 g/mol
LogP2.86
Rot. Bonds6

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

2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 110418422) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
PubChem CID110418422
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3nc(C)no3)c2)c1
InChIInChI=1S/C17H17N3O5S/c1-11-18-17(25-19-11)12-5-4-6-13(9-12)20-26(21,22)16-10-14(23-2)7-8-15(16)24-3/h4-10,20H,1-3H3
InChIKeyJTESHYJWPPVSDY-UHFFFAOYSA-N
XLogP2.86
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418448
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 35521904
2,4-dimethoxy-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643635
2-methoxy-5-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643633
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
2,4,6-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643728
4-ethoxy-2,5-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643747
2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 108782173
3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418417
3-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266964
4-fluoro-3-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643729
2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098161

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide (CID 110418422) is 2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3nc(C)no3)c2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is JTESHYJWPPVSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-11-18-17(25-19-11)12-5-4-6-13(9-12)20-26(21,22)16-10-14(23-2)7-8-15(16)24-3/h4-10,20H,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide?
2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 375.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110418422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).