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

C17H17N3O4S — CID 90562184

IUPAC2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccccc1Cc1nc(C)no1
InChIInChI=1S/C17H17N3O4S/c1-12-18-17(24-19-12)11-13-7-3-4-8-14(13)20-25(21,22)16-10-6-5-9-15(16)23-2/h3-10,20H,11H2,1-2H3
InChIKeyNTALHGIBRHSAFW-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.78
Rot. Bonds6

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

2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 90562184) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
PubChem CID90562184
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccccc1Cc1nc(C)no1
InChIInChI=1S/C17H17N3O4S/c1-12-18-17(24-19-12)11-13-7-3-4-8-14(13)20-25(21,22)16-10-6-5-9-15(16)23-2/h3-10,20H,11H2,1-2H3
InChIKeyNTALHGIBRHSAFW-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole
CID 54077737
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 90563552
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclohexanesulfonamide
CID 90562203
2,5-dimethoxy-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90562714
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 90563615
1-(2-methoxyphenyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 47087362
1-(2-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 60719579
2-ethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562020
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide
CID 71800432
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea
CID 90562124
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 90561959

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide (CID 90562184) is 2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccccc1Cc1nc(C)no1.
What is the InChIKey of 2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide?
The InChIKey is NTALHGIBRHSAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-12-18-17(24-19-12)11-13-7-3-4-8-14(13)20-25(21,22)16-10-6-5-9-15(16)23-2/h3-10,20H,11H2,1-2H3.
What are the key properties of 2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide?
2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide has a molecular weight of 359.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 90562184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).