5-chloro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide

C22H20ClFN2O5S3 — CID 10128788

IUPAC5-chloro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(Cl)s3)C2=O)c(F)c1
InChIInChI=1S/C22H20ClFN2O5S3/c1-33(28,29)19-7-3-2-5-15(19)14-8-9-18(16(24)13-14)26-12-4-6-17(22(26)27)25-34(30,31)21-11-10-20(23)32-21/h2-3,5,7-11,13,17,25H,4,6,12H2,1H3
InChIKeyMZFWRIWUKKIZFN-UHFFFAOYSA-N
MW543.06 g/mol
LogP4.09
Rot. Bonds6

About 5-chloro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide

5-chloro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide (PubChem CID 10128788) has the molecular formula C22H20ClFN2O5S3 and a molecular weight of 543.06 g/mol. Its IUPAC name is 5-chloro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
PubChem CID10128788
Molecular FormulaC22H20ClFN2O5S3
Molecular Weight543.06 g/mol
Exact Mass542.02
IUPAC Name5-chloro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(Cl)s3)C2=O)c(F)c1
InChIInChI=1S/C22H20ClFN2O5S3/c1-33(28,29)19-7-3-2-5-15(19)14-8-9-18(16(24)13-14)26-12-4-6-17(22(26)27)25-34(30,31)21-11-10-20(23)32-21/h2-3,5,7-11,13,17,25H,4,6,12H2,1H3
InChIKeyMZFWRIWUKKIZFN-UHFFFAOYSA-N
XLogP4.09
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.06
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-2-(5-Chlorothiophen-2-Yl)-N-[(3s)-1-{4-[(1s)-1-(Dimethylamino)ethyl]-2-Fluorophenyl}-2-Oxopyrrolidin-3-Yl]ethenesulfonamide
CID 11454249
(E)-2-(5-Chlorothiophen-2-Yl)-N-[(3s)-1-{4-[(1r)-1-(Dimethylamino)ethyl]-2-Fluorophenyl}-2-Oxopyrrolidin-3-Yl]ethenesulfonamide
CID 11178928
4-Substituted Pyrrolidine Ring, 21
CID 16749190
(S)-2-(5-chlorothiophen-2-yl)-N-(1-(3-fluoro-2''-(methylsulfonyl)biphenyl-4-yl)-2-oxopyrrolidin-3-yl)ethenesulfonamide
CID 44629584
4-Substituted Pyrrolidine Ring, 17
CID 54592298
(E)-2-(4-chlorophenyl)-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 24936196
(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 44446380
(E)-2-(6-chloro-1-benzothiophen-2-yl)-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 44446381
(E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[4-[1-(dimethylamino)ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 46226325
[(1S)-1-[4-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-fluorophenyl]ethyl]-dimethylazanium
CID 72199475
N-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclohexyl]methyl]thiophene-2-sulfonamide
CID 15999174
4-fluoro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]benzenesulfonamide
CID 10128550

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide (CID 10128788) is 5-chloro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide is CS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(Cl)s3)C2=O)c(F)c1.
What is the InChIKey of 5-chloro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is MZFWRIWUKKIZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O5S3/c1-33(28,29)19-7-3-2-5-15(19)14-8-9-18(16(24)13-14)26-12-4-6-17(22(26)27)25-34(30,31)21-11-10-20(23)32-21/h2-3,5,7-11,13,17,25H,4,6,12H2,1H3.
What are the key properties of 5-chloro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide?
5-chloro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 543.06 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 10128788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).