N-(3-fluoro-4-methylphenyl)-1,2,4-trimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide

C17H19FN4O3S — CID 53154434

IUPACN-(3-fluoro-4-methylphenyl)-1,2,4-trimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide
SMILESCc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccc(C)c(F)c3)c(C)n2C)o1
InChIInChI=1S/C17H19FN4O3S/c1-9-6-7-13(8-14(9)18)21-26(23,24)16-10(2)15(22(5)11(16)3)17-20-19-12(4)25-17/h6-8,21H,1-5H3
InChIKeyWDKGYKNFFCAQPW-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.25
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-1,2,4-trimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide

N-(3-fluoro-4-methylphenyl)-1,2,4-trimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide (PubChem CID 53154434) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1,2,4-trimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1,2,4-trimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide
PubChem CID53154434
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC NameN-(3-fluoro-4-methylphenyl)-1,2,4-trimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide
SMILESCc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccc(C)c(F)c3)c(C)n2C)o1
InChIInChI=1S/C17H19FN4O3S/c1-9-6-7-13(8-14(9)18)21-26(23,24)16-10(2)15(22(5)11(16)3)17-20-19-12(4)25-17/h6-8,21H,1-5H3
InChIKeyWDKGYKNFFCAQPW-UHFFFAOYSA-N
XLogP3.25
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1,2,4-trimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1,2,4-trimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide (CID 53154434) is N-(3-fluoro-4-methylphenyl)-1,2,4-trimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1,2,4-trimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1,2,4-trimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide is Cc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccc(C)c(F)c3)c(C)n2C)o1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1,2,4-trimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide?
The InChIKey is WDKGYKNFFCAQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c1-9-6-7-13(8-14(9)18)21-26(23,24)16-10(2)15(22(5)11(16)3)17-20-19-12(4)25-17/h6-8,21H,1-5H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-1,2,4-trimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide?
N-(3-fluoro-4-methylphenyl)-1,2,4-trimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide has a molecular weight of 378.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1,2,4-trimethyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 53154434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).