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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Related Compounds

N-[3-(5,6-dicyano-2-pyridinyl)-5-methylphenyl]furan-2-sulfonamide
CID 67282282
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692428
2-(3-methylphenyl)-1,3,4-oxadiazole
CID 22937238
1-ethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyrazole-4-sulfonamide
CID 84592273
N-(3,5-dimethylphenyl)-3-phenyl-1,2-oxazole-5-sulfonamide
CID 166328788
N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide
CID 64585706
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109064485
N-(3,5-dimethylphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759694
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 55964358
4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 169372698
(E)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]-2-phenylethenesulfonamide
CID 75533186
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972

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).