4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide

C15H19N3O4S — CID 97443354

IUPAC4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(-c2nc([C@@H]3CCOC3)no2)cc1
InChIInChI=1S/C15H19N3O4S/c1-2-8-16-23(19,20)13-5-3-11(4-6-13)15-17-14(18-22-15)12-7-9-21-10-12/h3-6,12,16H,2,7-10H2,1H3/t12-/m1/s1
InChIKeyGBUCQPOJVYHTHO-GFCCVEGCSA-N
MW337.40 g/mol
LogP1.93
Rot. Bonds6

About 4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide

4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide (PubChem CID 97443354) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide
PubChem CID97443354
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(-c2nc([C@@H]3CCOC3)no2)cc1
InChIInChI=1S/C15H19N3O4S/c1-2-8-16-23(19,20)13-5-3-11(4-6-13)15-17-14(18-22-15)12-7-9-21-10-12/h3-6,12,16H,2,7-10H2,1H3/t12-/m1/s1
InChIKeyGBUCQPOJVYHTHO-GFCCVEGCSA-N
XLogP1.93
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide?
The IUPAC name of 4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide (CID 97443354) is 4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(-c2nc([C@@H]3CCOC3)no2)cc1.
What is the InChIKey of 4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide?
The InChIKey is GBUCQPOJVYHTHO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-2-8-16-23(19,20)13-5-3-11(4-6-13)15-17-14(18-22-15)12-7-9-21-10-12/h3-6,12,16H,2,7-10H2,1H3/t12-/m1/s1.
What are the key properties of 4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide?
4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 97443354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).