(E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)-2-oxopyrrolidin-3-yl]ethenesulfonamide

C19H18ClFN2O3S2 — CID 46226298

IUPAC(E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)-2-oxopyrrolidin-3-yl]ethenesulfonamide
SMILESC=C(C)c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1
InChIInChI=1S/C19H18ClFN2O3S2/c1-12(2)13-3-5-17(15(21)11-13)23-9-7-16(19(23)24)22-28(25,26)10-8-14-4-6-18(20)27-14/h3-6,8,10-11,16,22H,1,7,9H2,2H3/b10-8+/t16-/m0/s1
InChIKeyNNZZXQHYOLMHKT-DZZUKKPASA-N
MW440.95 g/mol
LogP4.27
Rot. Bonds6

About (E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)-2-oxopyrrolidin-3-yl]ethenesulfonamide

(E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)-2-oxopyrrolidin-3-yl]ethenesulfonamide (PubChem CID 46226298) has the molecular formula C19H18ClFN2O3S2 and a molecular weight of 440.95 g/mol. Its IUPAC name is (E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)-2-oxopyrrolidin-3-yl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)-2-oxopyrrolidin-3-yl]ethenesulfonamide
PubChem CID46226298
Molecular FormulaC19H18ClFN2O3S2
Molecular Weight440.95 g/mol
Exact Mass440.04
IUPAC Name(E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)-2-oxopyrrolidin-3-yl]ethenesulfonamide
SMILESC=C(C)c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1
InChIInChI=1S/C19H18ClFN2O3S2/c1-12(2)13-3-5-17(15(21)11-13)23-9-7-16(19(23)24)22-28(25,26)10-8-14-4-6-18(20)27-14/h3-6,8,10-11,16,22H,1,7,9H2,2H3/b10-8+/t16-/m0/s1
InChIKeyNNZZXQHYOLMHKT-DZZUKKPASA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)-2-oxopyrrolidin-3-yl]ethenesulfonamide?
The IUPAC name of (E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)-2-oxopyrrolidin-3-yl]ethenesulfonamide (CID 46226298) is (E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)-2-oxopyrrolidin-3-yl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)-2-oxopyrrolidin-3-yl]ethenesulfonamide?
The canonical SMILES for (E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)-2-oxopyrrolidin-3-yl]ethenesulfonamide is C=C(C)c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1.
What is the InChIKey of (E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)-2-oxopyrrolidin-3-yl]ethenesulfonamide?
The InChIKey is NNZZXQHYOLMHKT-DZZUKKPASA-N. The full InChI is InChI=1S/C19H18ClFN2O3S2/c1-12(2)13-3-5-17(15(21)11-13)23-9-7-16(19(23)24)22-28(25,26)10-8-14-4-6-18(20)27-14/h3-6,8,10-11,16,22H,1,7,9H2,2H3/b10-8+/t16-/m0/s1.
What are the key properties of (E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)-2-oxopyrrolidin-3-yl]ethenesulfonamide?
(E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)-2-oxopyrrolidin-3-yl]ethenesulfonamide has a molecular weight of 440.95 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(2-fluoro-4-prop-1-en-2-ylphenyl)-2-oxopyrrolidin-3-yl]ethenesulfonamide is sourced from PubChem (CID 46226298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).