N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide

C13H15N3O4S — CID 106401477

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NCCc2ncon2)c1
InChIInChI=1S/C13H15N3O4S/c1-2-12(17)10-4-3-5-11(8-10)21(18,19)15-7-6-13-14-9-20-16-13/h3-5,8-9,15H,2,6-7H2,1H3
InChIKeyNQJDDCBZOHDPBO-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.18
Rot. Bonds7

About N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide (PubChem CID 106401477) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide
PubChem CID106401477
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NCCc2ncon2)c1
InChIInChI=1S/C13H15N3O4S/c1-2-12(17)10-4-3-5-11(8-10)21(18,19)15-7-6-13-14-9-20-16-13/h3-5,8-9,15H,2,6-7H2,1H3
InChIKeyNQJDDCBZOHDPBO-UHFFFAOYSA-N
XLogP1.18
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 103823879
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 71912550
3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106411260
N-[2-(methylamino)ethyl]-3-propanoylbenzenesulfonamide;hydrochloride
CID 119973412
3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392459
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795
3-[(3-propanoylphenyl)sulfonylamino]propanamide
CID 60873632
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide
CID 102675948
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106411301
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407971
3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106407015

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide (CID 106401477) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)NCCc2ncon2)c1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide?
The InChIKey is NQJDDCBZOHDPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-2-12(17)10-4-3-5-11(8-10)21(18,19)15-7-6-13-14-9-20-16-13/h3-5,8-9,15H,2,6-7H2,1H3.
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide has a molecular weight of 309.35 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 106401477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).