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

C17H17N3O3S — CID 110319345

IUPAC3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2nnc(-c3ccccc3C)o2)c1
InChIInChI=1S/C17H17N3O3S/c1-12-6-5-8-14(10-12)24(21,22)18-11-16-19-20-17(23-16)15-9-4-3-7-13(15)2/h3-10,18H,11H2,1-2H3
InChIKeyOLFYAUQMSDMTAX-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.83
Rot. Bonds5

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

3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide (PubChem CID 110319345) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
PubChem CID110319345
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2nnc(-c3ccccc3C)o2)c1
InChIInChI=1S/C17H17N3O3S/c1-12-6-5-8-14(10-12)24(21,22)18-11-16-19-20-17(23-16)15-9-4-3-7-13(15)2/h3-10,18H,11H2,1-2H3
InChIKeyOLFYAUQMSDMTAX-UHFFFAOYSA-N
XLogP2.83
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319458
5-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110319343
4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321246
4-methoxy-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321248
N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 71662153
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzenesulfonamide
CID 110321687
5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine
CID 110652106
3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322586
4-tert-butyl-N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319079
2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318432
2,6-difluoro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652104
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321583

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide (CID 110319345) is 3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2nnc(-c3ccccc3C)o2)c1.
What is the InChIKey of 3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is OLFYAUQMSDMTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-6-5-8-14(10-12)24(21,22)18-11-16-19-20-17(23-16)15-9-4-3-7-13(15)2/h3-10,18H,11H2,1-2H3.
What are the key properties of 3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide?
3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 110319345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).