N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide

C15H21N3O5S2 — CID 9188811

IUPACN-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCCc2nnc(S(C)(=O)=O)o2)cc1
InChIInChI=1S/C15H21N3O5S2/c1-11(2)12-6-8-13(9-7-12)25(21,22)16-10-4-5-14-17-18-15(23-14)24(3,19)20/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyCFYQIOIPVGWSDC-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.51
Rot. Bonds8

About N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide

N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 9188811) has the molecular formula C15H21N3O5S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID9188811
Molecular FormulaC15H21N3O5S2
Molecular Weight387.48 g/mol
Exact Mass387.09
IUPAC NameN-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCCc2nnc(S(C)(=O)=O)o2)cc1
InChIInChI=1S/C15H21N3O5S2/c1-11(2)12-6-8-13(9-7-12)25(21,22)16-10-4-5-14-17-18-15(23-14)24(3,19)20/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyCFYQIOIPVGWSDC-UHFFFAOYSA-N
XLogP1.51
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzenesulfonamide
CID 9189000
4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide
CID 9188814
4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320880
4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110400290
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 9188640
4-propan-2-yl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71079087
N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide
CID 9189022
4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide
CID 161388261
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea
CID 9188976

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide (CID 9188811) is N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCCCc2nnc(S(C)(=O)=O)o2)cc1.
What is the InChIKey of N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is CFYQIOIPVGWSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S2/c1-11(2)12-6-8-13(9-7-12)25(21,22)16-10-4-5-14-17-18-15(23-14)24(3,19)20/h6-9,11,16H,4-5,10H2,1-3H3.
What are the key properties of N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide?
N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 387.48 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 9188811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).