2-(5-chlorothiophen-2-yl)-N-[1-(4-cyano-2-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide

C17H13ClFN3O3S2 — CID 91539648

IUPAC2-(5-chlorothiophen-2-yl)-N-[1-(4-cyano-2-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide
SMILESN#Cc1ccc(N2CC=C(NS(=O)(=O)CCc3ccc(Cl)s3)C2=O)c(F)c1
InChIInChI=1S/C17H13ClFN3O3S2/c18-16-4-2-12(26-16)6-8-27(24,25)21-14-5-7-22(17(14)23)15-3-1-11(10-20)9-13(15)19/h1-5,9,21H,6-8H2
InChIKeyPJEQVUIQEFBYMI-UHFFFAOYSA-N
MW425.89 g/mol
LogP2.80
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)-N-[1-(4-cyano-2-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide

2-(5-chlorothiophen-2-yl)-N-[1-(4-cyano-2-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide (PubChem CID 91539648) has the molecular formula C17H13ClFN3O3S2 and a molecular weight of 425.89 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[1-(4-cyano-2-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[1-(4-cyano-2-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide
PubChem CID91539648
Molecular FormulaC17H13ClFN3O3S2
Molecular Weight425.89 g/mol
Exact Mass425.01
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[1-(4-cyano-2-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide
SMILESN#Cc1ccc(N2CC=C(NS(=O)(=O)CCc3ccc(Cl)s3)C2=O)c(F)c1
InChIInChI=1S/C17H13ClFN3O3S2/c18-16-4-2-12(26-16)6-8-27(24,25)21-14-5-7-22(17(14)23)15-3-1-11(10-20)9-13(15)19/h1-5,9,21H,6-8H2
InChIKeyPJEQVUIQEFBYMI-UHFFFAOYSA-N
XLogP2.80
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-chlorothiophen-2-yl)-N-[1-(4-cyano-2-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]-5-oxo-2H-pyrrol-1-yl]-3-fluorobenzamide
CID 91171182
N-[1-[4-(1-aminoethyl)-2-fluorophenyl]-5-oxo-2H-pyrrol-4-yl]-2-(5-chlorothiophen-2-yl)ethanesulfonamide
CID 90757330
2-(5-chlorothiophen-2-yl)-N-[1-[4-[1-(dimethylamino)propyl]-2-fluorophenyl]-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide
CID 91035988
2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(2-nitrophenyl)phenyl]-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide
CID 90812145
4-[4-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]-5-oxo-2H-pyrrol-1-yl]-3-fluoro-N-methyl-N-prop-2-enylbenzamide
CID 91467555
4-[4-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]-5-oxo-2H-pyrrol-1-yl]-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 90768475
2-(5-chlorothiophen-2-yl)-N-[1-[(3R)-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl]-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide
CID 90899559
4-[4-[2-(5-chlorothiophen-2-yl)propylsulfonylamino]-5-oxo-2H-pyrrol-1-yl]-3-fluoro-N,N-dimethylbenzamide
CID 91506939
2-(5-chlorothiophen-2-yl)-N-[1-[4-[1-(dimethylamino)ethyl]-2,6-difluorophenyl]-5-oxo-2H-pyrrol-4-yl]propane-1-sulfonamide
CID 91091347
2-[2-(5-chlorothiophen-2-yl)ethylsulfonylamino]acetic acid
CID 73356503
4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-nitrobenzonitrile
CID 29107232
1-[1-(4-cyano-2-fluorophenyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 71976834

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[1-(4-cyano-2-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[1-(4-cyano-2-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide (CID 91539648) is 2-(5-chlorothiophen-2-yl)-N-[1-(4-cyano-2-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[1-(4-cyano-2-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[1-(4-cyano-2-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide is N#Cc1ccc(N2CC=C(NS(=O)(=O)CCc3ccc(Cl)s3)C2=O)c(F)c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[1-(4-cyano-2-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide?
The InChIKey is PJEQVUIQEFBYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3S2/c18-16-4-2-12(26-16)6-8-27(24,25)21-14-5-7-22(17(14)23)15-3-1-11(10-20)9-13(15)19/h1-5,9,21H,6-8H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[1-(4-cyano-2-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide?
2-(5-chlorothiophen-2-yl)-N-[1-(4-cyano-2-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide has a molecular weight of 425.89 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[1-(4-cyano-2-fluorophenyl)-5-oxo-2H-pyrrol-4-yl]ethanesulfonamide is sourced from PubChem (CID 91539648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).