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

C13H11N3O4S — CID 67282308

IUPACN-[3-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccco2)cc(-c2nnco2)c1
InChIInChI=1S/C13H11N3O4S/c1-9-5-10(13-15-14-8-20-13)7-11(6-9)16-21(17,18)12-3-2-4-19-12/h2-8,16H,1H3
InChIKeyPSKPWUQBMKCYFY-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.44
Rot. Bonds4

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

N-[3-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-2-sulfonamide (PubChem CID 67282308) has the molecular formula C13H11N3O4S and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[3-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-[3-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-2-sulfonamide
PubChem CID67282308
Molecular FormulaC13H11N3O4S
Molecular Weight305.31 g/mol
Exact Mass305.05
IUPAC NameN-[3-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccco2)cc(-c2nnco2)c1
InChIInChI=1S/C13H11N3O4S/c1-9-5-10(13-15-14-8-20-13)7-11(6-9)16-21(17,18)12-3-2-4-19-12/h2-8,16H,1H3
InChIKeyPSKPWUQBMKCYFY-UHFFFAOYSA-N
XLogP2.44
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-2-sulfonamide?
The IUPAC name of N-[3-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-2-sulfonamide (CID 67282308) is N-[3-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-2-sulfonamide.
What is the SMILES notation for N-[3-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-2-sulfonamide?
The canonical SMILES for N-[3-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-2-sulfonamide is Cc1cc(NS(=O)(=O)c2ccco2)cc(-c2nnco2)c1.
What is the InChIKey of N-[3-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-2-sulfonamide?
The InChIKey is PSKPWUQBMKCYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S/c1-9-5-10(13-15-14-8-20-13)7-11(6-9)16-21(17,18)12-3-2-4-19-12/h2-8,16H,1H3.
What are the key properties of N-[3-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-2-sulfonamide?
N-[3-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-2-sulfonamide has a molecular weight of 305.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-2-sulfonamide is sourced from PubChem (CID 67282308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).