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

C18H20F2N4O3S — CID 53154462

IUPACN-[(2,4-difluorophenyl)methyl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide
SMILESCCc1nnc(-c2c(C)c(S(=O)(=O)NCc3ccc(F)cc3F)c(C)n2C)o1
InChIInChI=1S/C18H20F2N4O3S/c1-5-15-22-23-18(27-15)16-10(2)17(11(3)24(16)4)28(25,26)21-9-12-6-7-13(19)8-14(12)20/h6-8,21H,5,9H2,1-4H3
InChIKeyVPGXEJDHUFDLIS-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.01
Rot. Bonds6

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

N-[(2,4-difluorophenyl)methyl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide (PubChem CID 53154462) has the molecular formula C18H20F2N4O3S and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide
PubChem CID53154462
Molecular FormulaC18H20F2N4O3S
Molecular Weight410.45 g/mol
Exact Mass410.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide
SMILESCCc1nnc(-c2c(C)c(S(=O)(=O)NCc3ccc(F)cc3F)c(C)n2C)o1
InChIInChI=1S/C18H20F2N4O3S/c1-5-15-22-23-18(27-15)16-10(2)17(11(3)24(16)4)28(25,26)21-9-12-6-7-13(19)8-14(12)20/h6-8,21H,5,9H2,1-4H3
InChIKeyVPGXEJDHUFDLIS-UHFFFAOYSA-N
XLogP3.01
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide (CID 53154462) is N-[(2,4-difluorophenyl)methyl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide is CCc1nnc(-c2c(C)c(S(=O)(=O)NCc3ccc(F)cc3F)c(C)n2C)o1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide?
The InChIKey is VPGXEJDHUFDLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O3S/c1-5-15-22-23-18(27-15)16-10(2)17(11(3)24(16)4)28(25,26)21-9-12-6-7-13(19)8-14(12)20/h6-8,21H,5,9H2,1-4H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide?
N-[(2,4-difluorophenyl)methyl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide has a molecular weight of 410.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53154462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).