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

C19H23FN4O3S — CID 53154518

IUPAC1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(3-fluorophenyl)methyl]-2,4-dimethylpyrrole-3-sulfonamide
SMILESCCc1nnc(-c2c(C)c(S(=O)(=O)NCc3cccc(F)c3)c(C)n2CC)o1
InChIInChI=1S/C19H23FN4O3S/c1-5-16-22-23-19(27-16)17-12(3)18(13(4)24(17)6-2)28(25,26)21-11-14-8-7-9-15(20)10-14/h7-10,21H,5-6,11H2,1-4H3
InChIKeyPKFWFFXLCNEBLD-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.35
Rot. Bonds7

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

1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(3-fluorophenyl)methyl]-2,4-dimethylpyrrole-3-sulfonamide (PubChem CID 53154518) has the molecular formula C19H23FN4O3S and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(3-fluorophenyl)methyl]-2,4-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(3-fluorophenyl)methyl]-2,4-dimethylpyrrole-3-sulfonamide
PubChem CID53154518
Molecular FormulaC19H23FN4O3S
Molecular Weight406.48 g/mol
Exact Mass406.15
IUPAC Name1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(3-fluorophenyl)methyl]-2,4-dimethylpyrrole-3-sulfonamide
SMILESCCc1nnc(-c2c(C)c(S(=O)(=O)NCc3cccc(F)c3)c(C)n2CC)o1
InChIInChI=1S/C19H23FN4O3S/c1-5-16-22-23-19(27-16)17-12(3)18(13(4)24(17)6-2)28(25,26)21-11-14-8-7-9-15(20)10-14/h7-10,21H,5-6,11H2,1-4H3
InChIKeyPKFWFFXLCNEBLD-UHFFFAOYSA-N
XLogP3.35
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(3-fluorophenyl)methyl]-2,4-dimethylpyrrole-3-sulfonamide?
The IUPAC name of 1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(3-fluorophenyl)methyl]-2,4-dimethylpyrrole-3-sulfonamide (CID 53154518) is 1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(3-fluorophenyl)methyl]-2,4-dimethylpyrrole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(3-fluorophenyl)methyl]-2,4-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for 1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(3-fluorophenyl)methyl]-2,4-dimethylpyrrole-3-sulfonamide is CCc1nnc(-c2c(C)c(S(=O)(=O)NCc3cccc(F)c3)c(C)n2CC)o1.
What is the InChIKey of 1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(3-fluorophenyl)methyl]-2,4-dimethylpyrrole-3-sulfonamide?
The InChIKey is PKFWFFXLCNEBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3S/c1-5-16-22-23-19(27-16)17-12(3)18(13(4)24(17)6-2)28(25,26)21-11-14-8-7-9-15(20)10-14/h7-10,21H,5-6,11H2,1-4H3.
What are the key properties of 1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(3-fluorophenyl)methyl]-2,4-dimethylpyrrole-3-sulfonamide?
1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(3-fluorophenyl)methyl]-2,4-dimethylpyrrole-3-sulfonamide has a molecular weight of 406.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(3-fluorophenyl)methyl]-2,4-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53154518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).