N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide

C14H11N3O5S2 — CID 110293472

IUPACN-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NCc1nc(-c2cccs2)no1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H11N3O5S2/c18-24(19,9-3-4-10-11(6-9)21-8-20-10)15-7-13-16-14(17-22-13)12-2-1-5-23-12/h1-6,15H,7-8H2
InChIKeyFEJRCSJNMLLQTK-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.01
Rot. Bonds5

About N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide

N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 110293472) has the molecular formula C14H11N3O5S2 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID110293472
Molecular FormulaC14H11N3O5S2
Molecular Weight365.39 g/mol
Exact Mass365.01
IUPAC NameN-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NCc1nc(-c2cccs2)no1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H11N3O5S2/c18-24(19,9-3-4-10-11(6-9)21-8-20-10)15-7-13-16-14(17-22-13)12-2-1-5-23-12/h1-6,15H,7-8H2
InChIKeyFEJRCSJNMLLQTK-UHFFFAOYSA-N
XLogP2.01
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110323255
N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110322375
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzodioxole-5-sulfonamide
CID 110323111
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 90563998
4-nitro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 92801370
2-oxo-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-dihydroindole-5-sulfonamide
CID 110293482
4-(cyclopropanecarbonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110632113
N-(methylsulfamoyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 110632114
5-(1,3-benzodioxol-5-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9137704
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121121798
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563905
N-(1,3-benzodioxol-5-ylmethyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38885147

Frequently Asked Questions

What is the IUPAC name of N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide (CID 110293472) is N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide is O=S(=O)(NCc1nc(-c2cccs2)no1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is FEJRCSJNMLLQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5S2/c18-24(19,9-3-4-10-11(6-9)21-8-20-10)15-7-13-16-14(17-22-13)12-2-1-5-23-12/h1-6,15H,7-8H2.
What are the key properties of N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 365.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110293472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).