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

C11H13N3O3S — CID 110318432

IUPAC2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1nnc(CNS(=O)(=O)c2ccccc2C)o1
InChIInChI=1S/C11H13N3O3S/c1-8-5-3-4-6-10(8)18(15,16)12-7-11-14-13-9(2)17-11/h3-6,12H,7H2,1-2H3
InChIKeyWIQJTTZOBRZTPC-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.16
Rot. Bonds4

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

2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110318432) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID110318432
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1nnc(CNS(=O)(=O)c2ccccc2C)o1
InChIInChI=1S/C11H13N3O3S/c1-8-5-3-4-6-10(8)18(15,16)12-7-11-14-13-9(2)17-11/h3-6,12H,7H2,1-2H3
InChIKeyWIQJTTZOBRZTPC-UHFFFAOYSA-N
XLogP1.16
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 69575527
N-[(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 169090002
N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 169090003
2-Methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole
CID 8689817
4-fluoro-2-methyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 9186116
4-fluoro-3-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 9188282
4-fluoro-2-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 9188285
1-(2-fluorophenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
CID 9188302
1-(4-fluorophenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
CID 9188305
2-fluoro-5-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 9188332
N~2~-[(4-fluoro-2-methylphenyl)sulfonyl]-N~1~-methyl-N~1~-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]glycinamide
CID 86285763
4-fluoro-2-methyl-N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide
CID 110288389

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (CID 110318432) is 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is Cc1nnc(CNS(=O)(=O)c2ccccc2C)o1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is WIQJTTZOBRZTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-8-5-3-4-6-10(8)18(15,16)12-7-11-14-13-9(2)17-11/h3-6,12H,7H2,1-2H3.
What are the key properties of 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110318432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).