N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide

C26H21BrFN3O4S — CID 23830550

IUPACN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESO=C1CC(N(CCc2c[nH]c3ccccc23)S(=O)(=O)c2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C26H21BrFN3O4S/c27-18-5-9-20(10-6-18)31-25(32)15-24(26(31)33)30(36(34,35)21-11-7-19(28)8-12-21)14-13-17-16-29-23-4-2-1-3-22(17)23/h1-12,16,24,29H,13-15H2
InChIKeyOSKVCERWFJJZPM-UHFFFAOYSA-N
MW570.44 g/mol
LogP4.64
Rot. Bonds7

About N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide

N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 23830550) has the molecular formula C26H21BrFN3O4S and a molecular weight of 570.44 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID23830550
Molecular FormulaC26H21BrFN3O4S
Molecular Weight570.44 g/mol
Exact Mass569.04
IUPAC NameN-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESO=C1CC(N(CCc2c[nH]c3ccccc23)S(=O)(=O)c2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C26H21BrFN3O4S/c27-18-5-9-20(10-6-18)31-25(32)15-24(26(31)33)30(36(34,35)21-11-7-19(28)8-12-21)14-13-17-16-29-23-4-2-1-3-22(17)23/h1-12,16,24,29H,13-15H2
InChIKeyOSKVCERWFJJZPM-UHFFFAOYSA-N
XLogP4.64
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.44
LogP ≤ 54.64
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

4-[3-[benzenesulfonyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25042087
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23886885
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide
CID 23743623
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide
CID 23830842
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide
CID 23971007
4-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)benzenesulfonamide
CID 23998649
[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(1H-indol-3-yl)ethyl]azanium
CID 7678359
4-bromo-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 23942833
N-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide
CID 23970660
methyl 4-[3-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23998527
4-bromo-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 23830634
4-[3-[(4-bromophenyl)sulfonyl-[2-(cyclohexen-1-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25045722

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide (CID 23830550) is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is O=C1CC(N(CCc2c[nH]c3ccccc23)S(=O)(=O)c2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is OSKVCERWFJJZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21BrFN3O4S/c27-18-5-9-20(10-6-18)31-25(32)15-24(26(31)33)30(36(34,35)21-11-7-19(28)8-12-21)14-13-17-16-29-23-4-2-1-3-22(17)23/h1-12,16,24,29H,13-15H2.
What are the key properties of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide?
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 570.44 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 23830550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).