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

C19H21FN4O3S — CID 53155173

IUPAC4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(2-fluorophenyl)-2,5-dimethylpyrrole-3-sulfonamide
SMILESCCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)Nc2ccccc2F)c1C
InChIInChI=1S/C19H21FN4O3S/c1-4-24-11(2)16(19-21-18(22-27-19)13-9-10-13)17(12(24)3)28(25,26)23-15-8-6-5-7-14(15)20/h5-8,13,23H,4,9-10H2,1-3H3
InChIKeyGWEHAWFJFISMRR-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.99
Rot. Bonds6

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

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(2-fluorophenyl)-2,5-dimethylpyrrole-3-sulfonamide (PubChem CID 53155173) has the molecular formula C19H21FN4O3S and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(2-fluorophenyl)-2,5-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(2-fluorophenyl)-2,5-dimethylpyrrole-3-sulfonamide
PubChem CID53155173
Molecular FormulaC19H21FN4O3S
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(2-fluorophenyl)-2,5-dimethylpyrrole-3-sulfonamide
SMILESCCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)Nc2ccccc2F)c1C
InChIInChI=1S/C19H21FN4O3S/c1-4-24-11(2)16(19-21-18(22-27-19)13-9-10-13)17(12(24)3)28(25,26)23-15-8-6-5-7-14(15)20/h5-8,13,23H,4,9-10H2,1-3H3
InChIKeyGWEHAWFJFISMRR-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 ≤ 500404.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(2-fluorophenyl)-2,5-dimethylpyrrole-3-sulfonamide?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(2-fluorophenyl)-2,5-dimethylpyrrole-3-sulfonamide (CID 53155173) is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(2-fluorophenyl)-2,5-dimethylpyrrole-3-sulfonamide.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(2-fluorophenyl)-2,5-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(2-fluorophenyl)-2,5-dimethylpyrrole-3-sulfonamide is CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)Nc2ccccc2F)c1C.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(2-fluorophenyl)-2,5-dimethylpyrrole-3-sulfonamide?
The InChIKey is GWEHAWFJFISMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3S/c1-4-24-11(2)16(19-21-18(22-27-19)13-9-10-13)17(12(24)3)28(25,26)23-15-8-6-5-7-14(15)20/h5-8,13,23H,4,9-10H2,1-3H3.
What are the key properties of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(2-fluorophenyl)-2,5-dimethylpyrrole-3-sulfonamide?
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(2-fluorophenyl)-2,5-dimethylpyrrole-3-sulfonamide has a molecular weight of 404.47 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 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-ethyl-N-(2-fluorophenyl)-2,5-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53155173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).