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

C14H11N3O5S2 — CID 110322375

IUPACN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NCc1nnc(-c2cccs2)o1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H11N3O5S2/c18-24(19,9-3-4-10-11(6-9)21-8-20-10)15-7-13-16-17-14(22-13)12-2-1-5-23-12/h1-6,15H,7-8H2
InChIKeyZPTMSSPTLJRRNA-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.01
Rot. Bonds5

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

N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 110322375) has the molecular formula C14H11N3O5S2 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID110322375
Molecular FormulaC14H11N3O5S2
Molecular Weight365.39 g/mol
Exact Mass365.01
IUPAC NameN-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NCc1nnc(-c2cccs2)o1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H11N3O5S2/c18-24(19,9-3-4-10-11(6-9)21-8-20-10)15-7-13-16-17-14(22-13)12-2-1-5-23-12/h1-6,15H,7-8H2
InChIKeyZPTMSSPTLJRRNA-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

Analyze N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide 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-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110318486
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110293472
4-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322355
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322358
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110323255
4-methoxy-2,6-dimethyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322399
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110321136
4-methyl-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322501
3-chloro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322551
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121121798
3-nitro-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322553
4-ethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322547

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide (CID 110322375) is N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide is O=S(=O)(NCc1nnc(-c2cccs2)o1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is ZPTMSSPTLJRRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5S2/c18-24(19,9-3-4-10-11(6-9)21-8-20-10)15-7-13-16-17-14(22-13)12-2-1-5-23-12/h1-6,15H,7-8H2.
What are the key properties of N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide?
N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110322375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).