4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide

C19H21FN4O3S — CID 53155161

IUPAC4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
SMILESCc1c(-c2nc(C3CCC3)no2)c(S(=O)(=O)Nc2cccc(F)c2)c(C)n1C
InChIInChI=1S/C19H21FN4O3S/c1-11-16(19-21-18(22-27-19)13-6-4-7-13)17(12(2)24(11)3)28(25,26)23-15-9-5-8-14(20)10-15/h5,8-10,13,23H,4,6-7H2,1-3H3
InChIKeyGKZPWKCIHNADJS-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.90
Rot. Bonds5

About 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide

4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide (PubChem CID 53155161) has the molecular formula C19H21FN4O3S and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
PubChem CID53155161
Molecular FormulaC19H21FN4O3S
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC Name4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
SMILESCc1c(-c2nc(C3CCC3)no2)c(S(=O)(=O)Nc2cccc(F)c2)c(C)n1C
InChIInChI=1S/C19H21FN4O3S/c1-11-16(19-21-18(22-27-19)13-6-4-7-13)17(12(2)24(11)3)28(25,26)23-15-9-5-8-14(20)10-15/h5,8-10,13,23H,4,6-7H2,1-3H3
InChIKeyGKZPWKCIHNADJS-UHFFFAOYSA-N
XLogP3.90
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide?
The IUPAC name of 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide (CID 53155161) is 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide.
What is the SMILES notation for 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide?
The canonical SMILES for 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide is Cc1c(-c2nc(C3CCC3)no2)c(S(=O)(=O)Nc2cccc(F)c2)c(C)n1C.
What is the InChIKey of 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide?
The InChIKey is GKZPWKCIHNADJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3S/c1-11-16(19-21-18(22-27-19)13-6-4-7-13)17(12(2)24(11)3)28(25,26)23-15-9-5-8-14(20)10-15/h5,8-10,13,23H,4,6-7H2,1-3H3.
What are the key properties of 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide?
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide has a molecular weight of 404.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53155161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).