N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide

C14H14F3N5O3S — CID 126794567

IUPACN-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCn1cc(N2CCC(NS(=O)(=O)c3ccc(C(F)(F)F)nc3)C2=O)cn1
InChIInChI=1S/C14H14F3N5O3S/c1-21-8-9(6-19-21)22-5-4-11(13(22)23)20-26(24,25)10-2-3-12(18-7-10)14(15,16)17/h2-3,6-8,11,20H,4-5H2,1H3
InChIKeyCFZLYWUJYOCLLM-UHFFFAOYSA-N
MW389.36 g/mol
LogP0.92
Rot. Bonds4

About N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide

N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 126794567) has the molecular formula C14H14F3N5O3S and a molecular weight of 389.36 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID126794567
Molecular FormulaC14H14F3N5O3S
Molecular Weight389.36 g/mol
Exact Mass389.08
IUPAC NameN-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCn1cc(N2CCC(NS(=O)(=O)c3ccc(C(F)(F)F)nc3)C2=O)cn1
InChIInChI=1S/C14H14F3N5O3S/c1-21-8-9(6-19-21)22-5-4-11(13(22)23)20-26(24,25)10-2-3-12(18-7-10)14(15,16)17/h2-3,6-8,11,20H,4-5H2,1H3
InChIKeyCFZLYWUJYOCLLM-UHFFFAOYSA-N
XLogP0.92
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 126794567) is N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide is Cn1cc(N2CCC(NS(=O)(=O)c3ccc(C(F)(F)F)nc3)C2=O)cn1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is CFZLYWUJYOCLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O3S/c1-21-8-9(6-19-21)22-5-4-11(13(22)23)20-26(24,25)10-2-3-12(18-7-10)14(15,16)17/h2-3,6-8,11,20H,4-5H2,1H3.
What are the key properties of N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 389.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 126794567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).