2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide

C19H20ClFN2O4S2 — CID 69422663

IUPAC2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
SMILESCC(C)(O)c1ccc(N2CCC(NS(=O)(=O)C=Cc3ccc(Cl)s3)C2=O)c(F)c1
InChIInChI=1S/C19H20ClFN2O4S2/c1-19(2,25)12-3-5-16(14(21)11-12)23-9-7-15(18(23)24)22-29(26,27)10-8-13-4-6-17(20)28-13/h3-6,8,10-11,15,22,25H,7,9H2,1-2H3
InChIKeyHQFWXGWSLXNNRU-UHFFFAOYSA-N
MW458.96 g/mol
LogP3.46
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide

2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide (PubChem CID 69422663) has the molecular formula C19H20ClFN2O4S2 and a molecular weight of 458.96 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
PubChem CID69422663
Molecular FormulaC19H20ClFN2O4S2
Molecular Weight458.96 g/mol
Exact Mass458.05
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
SMILESCC(C)(O)c1ccc(N2CCC(NS(=O)(=O)C=Cc3ccc(Cl)s3)C2=O)c(F)c1
InChIInChI=1S/C19H20ClFN2O4S2/c1-19(2,25)12-3-5-16(14(21)11-12)23-9-7-15(18(23)24)22-29(26,27)10-8-13-4-6-17(20)28-13/h3-6,8,10-11,15,22,25H,7,9H2,1-2H3
InChIKeyHQFWXGWSLXNNRU-UHFFFAOYSA-N
XLogP3.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.96
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide (CID 69422663) is 2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide is CC(C)(O)c1ccc(N2CCC(NS(=O)(=O)C=Cc3ccc(Cl)s3)C2=O)c(F)c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide?
The InChIKey is HQFWXGWSLXNNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O4S2/c1-19(2,25)12-3-5-16(14(21)11-12)23-9-7-15(18(23)24)22-29(26,27)10-8-13-4-6-17(20)28-13/h3-6,8,10-11,15,22,25H,7,9H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide?
2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide has a molecular weight of 458.96 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide is sourced from PubChem (CID 69422663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).