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

C17H19FN4O3S — CID 53155132

IUPAC4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
SMILESCCc1noc(-c2c(S(=O)(=O)Nc3ccc(F)cc3)c(C)n(C)c2C)n1
InChIInChI=1S/C17H19FN4O3S/c1-5-14-19-17(25-20-14)15-10(2)22(4)11(3)16(15)26(23,24)21-13-8-6-12(18)7-9-13/h6-9,21H,5H2,1-4H3
InChIKeyNGEYPESMOKLKBQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.19
Rot. Bonds5

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

4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide (PubChem CID 53155132) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
PubChem CID53155132
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
SMILESCCc1noc(-c2c(S(=O)(=O)Nc3ccc(F)cc3)c(C)n(C)c2C)n1
InChIInChI=1S/C17H19FN4O3S/c1-5-14-19-17(25-20-14)15-10(2)22(4)11(3)16(15)26(23,24)21-13-8-6-12(18)7-9-13/h6-9,21H,5H2,1-4H3
InChIKeyNGEYPESMOKLKBQ-UHFFFAOYSA-N
XLogP3.19
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53155143
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-methoxy-2-methylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53155151
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53155161
N-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide
CID 53154813
N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057200
1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide
CID 53154873
N-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 99786603
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-7-methyl-1,8-naphthyridin-4-amine
CID 53178380
2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53137174
ethyl 1,2,5-trimethyl-4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate
CID 20927351
3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole
CID 131159596
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol
CID 136670660

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide?
The IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide (CID 53155132) is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide.
What is the SMILES notation for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide?
The canonical SMILES for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide is CCc1noc(-c2c(S(=O)(=O)Nc3ccc(F)cc3)c(C)n(C)c2C)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide?
The InChIKey is NGEYPESMOKLKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c1-5-14-19-17(25-20-14)15-10(2)22(4)11(3)16(15)26(23,24)21-13-8-6-12(18)7-9-13/h6-9,21H,5H2,1-4H3.
What are the key properties of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide?
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide has a molecular weight of 378.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53155132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).