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

C15H21N3O5S2 — CID 9189000

IUPAC4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCCCc2nnc(S(C)(=O)=O)o2)cc1
InChIInChI=1S/C15H21N3O5S2/c1-12-7-9-13(10-8-12)25(21,22)16-11-5-3-4-6-14-17-18-15(23-14)24(2,19)20/h7-10,16H,3-6,11H2,1-2H3
InChIKeyRRYCUMYBLFMKEJ-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.47
Rot. Bonds9

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

4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide (PubChem CID 9189000) has the molecular formula C15H21N3O5S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide
PubChem CID9189000
Molecular FormulaC15H21N3O5S2
Molecular Weight387.48 g/mol
Exact Mass387.09
IUPAC Name4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCCCc2nnc(S(C)(=O)=O)o2)cc1
InChIInChI=1S/C15H21N3O5S2/c1-12-7-9-13(10-8-12)25(21,22)16-11-5-3-4-6-14-17-18-15(23-14)24(2,19)20/h7-10,16H,3-6,11H2,1-2H3
InChIKeyRRYCUMYBLFMKEJ-UHFFFAOYSA-N
XLogP1.47
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide
CID 9188811
4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide
CID 9188814
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide
CID 9189022
2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide
CID 9189066
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
1-(4-methylphenyl)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
CID 9188300
N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide
CID 9189117
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
4-methyl-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322501
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
4-fluoro-3-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 9188282

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide (CID 9189000) is 4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCCCc2nnc(S(C)(=O)=O)o2)cc1.
What is the InChIKey of 4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide?
The InChIKey is RRYCUMYBLFMKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S2/c1-12-7-9-13(10-8-12)25(21,22)16-11-5-3-4-6-14-17-18-15(23-14)24(2,19)20/h7-10,16H,3-6,11H2,1-2H3.
What are the key properties of 4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide?
4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide has a molecular weight of 387.48 g/mol, XLogP of 1.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide is sourced from PubChem (CID 9189000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).