1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-sulfonamide

C19H23FN4O3S — CID 53154551

IUPAC1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-sulfonamide
SMILESCCc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccc(F)c(C)c3)c(C)n2CC)o1
InChIInChI=1S/C19H23FN4O3S/c1-6-16-21-22-19(27-16)17-12(4)18(13(5)24(17)7-2)28(25,26)23-14-8-9-15(20)11(3)10-14/h8-10,23H,6-7H2,1-5H3
InChIKeyYGFCHEGGDGNWNK-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.99
Rot. Bonds6

About 1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-sulfonamide

1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-sulfonamide (PubChem CID 53154551) 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-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-sulfonamide
PubChem CID53154551
Molecular FormulaC19H23FN4O3S
Molecular Weight406.48 g/mol
Exact Mass406.15
IUPAC Name1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-sulfonamide
SMILESCCc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccc(F)c(C)c3)c(C)n2CC)o1
InChIInChI=1S/C19H23FN4O3S/c1-6-16-21-22-19(27-16)17-12(4)18(13(5)24(17)7-2)28(25,26)23-14-8-9-15(20)11(3)10-14/h8-10,23H,6-7H2,1-5H3
InChIKeyYGFCHEGGDGNWNK-UHFFFAOYSA-N
XLogP3.99
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.99
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-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-sulfonamide?
The IUPAC name of 1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-sulfonamide (CID 53154551) is 1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for 1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-sulfonamide is CCc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccc(F)c(C)c3)c(C)n2CC)o1.
What is the InChIKey of 1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-sulfonamide?
The InChIKey is YGFCHEGGDGNWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3S/c1-6-16-21-22-19(27-16)17-12(4)18(13(5)24(17)7-2)28(25,26)23-14-8-9-15(20)11(3)10-14/h8-10,23H,6-7H2,1-5H3.
What are the key properties of 1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-sulfonamide?
1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-sulfonamide has a molecular weight of 406.48 g/mol, XLogP of 3.99, 6 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-(4-fluoro-3-methylphenyl)-2,4-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53154551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).