4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide

C19H17ClN2O4S — CID 110584213

IUPAC4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(C2=C(Cl)C(=O)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1
InChIInChI=1S/C19H17ClN2O4S/c1-12-2-6-14(7-3-12)16-17(20)19(24)22(18(16)23)11-10-13-4-8-15(9-5-13)27(21,25)26/h2-9H,10-11H2,1H3,(H2,21,25,26)
InChIKeyRFIFZGALYVMOHW-UHFFFAOYSA-N
MW404.88 g/mol
LogP2.20
Rot. Bonds5

About 4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide

4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide (PubChem CID 110584213) has the molecular formula C19H17ClN2O4S and a molecular weight of 404.88 g/mol. Its IUPAC name is 4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide
PubChem CID110584213
Molecular FormulaC19H17ClN2O4S
Molecular Weight404.88 g/mol
Exact Mass404.06
IUPAC Name4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(C2=C(Cl)C(=O)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1
InChIInChI=1S/C19H17ClN2O4S/c1-12-2-6-14(7-3-12)16-17(20)19(24)22(18(16)23)11-10-13-4-8-15(9-5-13)27(21,25)26/h2-9H,10-11H2,1H3,(H2,21,25,26)
InChIKeyRFIFZGALYVMOHW-UHFFFAOYSA-N
XLogP2.20
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110584186
4-[2-[3-(4-fluorophenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide
CID 110582922
4-[[3-chloro-4-[4-(2-methylpropoxy)phenyl]-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide
CID 110582522
N-[4-[4-chloro-1-[2-(4-chlorophenyl)ethyl]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110583537
3-chloro-1-decyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584214
4-[2-(2,5-dioxo-3-phenyl-4-piperidin-1-ylpyrrol-1-yl)ethyl]benzenesulfonamide
CID 110560001
4-[[3-(4-methylphenyl)-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide
CID 110572823
4-[[3-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]methyl]benzenesulfonamide
CID 110572820
3-chloro-1-(3-ethoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584216
3-chloro-4-(3,4-dimethoxyphenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
CID 110583670
4-[2-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]ethyl]benzenesulfonamide
CID 110560003
4-[(3-chloro-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl)methyl]benzenesulfonamide
CID 110583051

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide (CID 110584213) is 4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide is Cc1ccc(C2=C(Cl)C(=O)N(CCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1.
What is the InChIKey of 4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is RFIFZGALYVMOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S/c1-12-2-6-14(7-3-12)16-17(20)19(24)22(18(16)23)11-10-13-4-8-15(9-5-13)27(21,25)26/h2-9H,10-11H2,1H3,(H2,21,25,26).
What are the key properties of 4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide?
4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 404.88 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-chloro-4-(4-methylphenyl)-2,5-dioxopyrrol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 110584213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).