N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

C15H17F3N4O3S — CID 71230828

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1
InChIInChI=1S/C15H17F3N4O3S/c1-22-7-6-10(9-22)8-19-26(23,24)12-4-2-11(3-5-12)13-20-14(25-21-13)15(16,17)18/h2-5,10,19H,6-9H2,1H3
InChIKeyFCZGXHOQIVWVFD-UHFFFAOYSA-N
MW390.39 g/mol
LogP1.99
Rot. Bonds5

About N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide

N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 71230828) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID71230828
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1
InChIInChI=1S/C15H17F3N4O3S/c1-22-7-6-10(9-22)8-19-26(23,24)12-4-2-11(3-5-12)13-20-14(25-21-13)15(16,17)18/h2-5,10,19H,6-9H2,1H3
InChIKeyFCZGXHOQIVWVFD-UHFFFAOYSA-N
XLogP1.99
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 71230828) is N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is CN1CCC(CNS(=O)(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is FCZGXHOQIVWVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c1-22-7-6-10(9-22)8-19-26(23,24)12-4-2-11(3-5-12)13-20-14(25-21-13)15(16,17)18/h2-5,10,19H,6-9H2,1H3.
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 390.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 71230828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).