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

C17H14FN3O5S — CID 110321136

IUPACN-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NCCc1nnc(-c2ccc(F)cc2)o1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H14FN3O5S/c18-12-3-1-11(2-4-12)17-21-20-16(26-17)7-8-19-27(22,23)13-5-6-14-15(9-13)25-10-24-14/h1-6,9,19H,7-8,10H2
InChIKeyGWFNQRYBXATBRE-UHFFFAOYSA-N
MW391.38 g/mol
LogP2.13
Rot. Bonds6

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

N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 110321136) has the molecular formula C17H14FN3O5S and a molecular weight of 391.38 g/mol. Its IUPAC name is N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID110321136
Molecular FormulaC17H14FN3O5S
Molecular Weight391.38 g/mol
Exact Mass391.06
IUPAC NameN-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NCCc1nnc(-c2ccc(F)cc2)o1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H14FN3O5S/c18-12-3-1-11(2-4-12)17-21-20-16(26-17)7-8-19-27(22,23)13-5-6-14-15(9-13)25-10-24-14/h1-6,9,19H,7-8,10H2
InChIKeyGWFNQRYBXATBRE-UHFFFAOYSA-N
XLogP2.13
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321156
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110318486
N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110320750
N-[2-(2,5-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110788208
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-5-methylthiophene-2-sulfonamide
CID 110321138
5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
CID 110321140
N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110322375
N-[2-(3,4-difluorophenyl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110788284
3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320875
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110321135
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17451134
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110415763

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide (CID 110321136) is N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide is O=S(=O)(NCCc1nnc(-c2ccc(F)cc2)o1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is GWFNQRYBXATBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O5S/c18-12-3-1-11(2-4-12)17-21-20-16(26-17)7-8-19-27(22,23)13-5-6-14-15(9-13)25-10-24-14/h1-6,9,19H,7-8,10H2.
What are the key properties of N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide?
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 391.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110321136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).