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

C12H15N3O5S2 — CID 9188300

IUPAC1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2nnc(S(C)(=O)=O)o2)cc1
InChIInChI=1S/C12H15N3O5S2/c1-9-3-5-10(6-4-9)8-22(18,19)13-7-11-14-15-12(20-11)21(2,16)17/h3-6,13H,7-8H2,1-2H3
InChIKeyTVMXPSBEMRLTRB-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.40
Rot. Bonds6

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

1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide (PubChem CID 9188300) has the molecular formula C12H15N3O5S2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
PubChem CID9188300
Molecular FormulaC12H15N3O5S2
Molecular Weight345.40 g/mol
Exact Mass345.05
IUPAC Name1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NCc2nnc(S(C)(=O)=O)o2)cc1
InChIInChI=1S/C12H15N3O5S2/c1-9-3-5-10(6-4-9)8-22(18,19)13-7-11-14-15-12(20-11)21(2,16)17/h3-6,13H,7-8H2,1-2H3
InChIKeyTVMXPSBEMRLTRB-UHFFFAOYSA-N
XLogP0.40
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 9188614
1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
CID 110319492
N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide
CID 9189022
4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide
CID 9189000
4-fluoro-3-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 9188282
1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321497
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110321691
1-(4-methylphenyl)-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320905
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
1-(4-methylphenyl)-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321378
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 9188631
1-(4-fluorophenyl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]methanesulfonamide
CID 9186694

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide (CID 9188300) is 1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide is Cc1ccc(CS(=O)(=O)NCc2nnc(S(C)(=O)=O)o2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide?
The InChIKey is TVMXPSBEMRLTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S2/c1-9-3-5-10(6-4-9)8-22(18,19)13-7-11-14-15-12(20-11)21(2,16)17/h3-6,13H,7-8H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide?
1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide has a molecular weight of 345.40 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 9188300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).