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

C27H24ClN3O4S — CID 23886885

IUPAC4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
SMILESCc1ccc(N2C(=O)CC(N(CCc3c[nH]c4ccccc34)S(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C27H24ClN3O4S/c1-18-6-10-21(11-7-18)31-26(32)16-25(27(31)33)30(36(34,35)22-12-8-20(28)9-13-22)15-14-19-17-29-24-5-3-2-4-23(19)24/h2-13,17,25,29H,14-16H2,1H3
InChIKeyCRLDPZBVRFJTQF-UHFFFAOYSA-N
MW522.03 g/mol
LogP4.70
Rot. Bonds7

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

4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 23886885) has the molecular formula C27H24ClN3O4S and a molecular weight of 522.03 g/mol. Its IUPAC name is 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID23886885
Molecular FormulaC27H24ClN3O4S
Molecular Weight522.03 g/mol
Exact Mass521.12
IUPAC Name4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
SMILESCc1ccc(N2C(=O)CC(N(CCc3c[nH]c4ccccc34)S(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C27H24ClN3O4S/c1-18-6-10-21(11-7-18)31-26(32)16-25(27(31)33)30(36(34,35)22-12-8-20(28)9-13-22)15-14-19-17-29-24-5-3-2-4-23(19)24/h2-13,17,25,29H,14-16H2,1H3
InChIKeyCRLDPZBVRFJTQF-UHFFFAOYSA-N
XLogP4.70
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.03
LogP ≤ 54.70
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
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 23830550
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 23859022
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzenesulfonamide
CID 23743623
4-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)benzenesulfonamide
CID 23998649
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23745412
4-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide
CID 25048801
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-4-nitrobenzamide
CID 23972582
methyl 4-[3-[2-(1H-indol-3-yl)ethyl-(4-methylbenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23803639
4-chloro-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 23886824
4-bromo-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 23942833
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 23998488

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide (CID 23886885) is 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide is Cc1ccc(N2C(=O)CC(N(CCc3c[nH]c4ccccc34)S(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is CRLDPZBVRFJTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O4S/c1-18-6-10-21(11-7-18)31-26(32)16-25(27(31)33)30(36(34,35)22-12-8-20(28)9-13-22)15-14-19-17-29-24-5-3-2-4-23(19)24/h2-13,17,25,29H,14-16H2,1H3.
What are the key properties of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide?
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 522.03 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 23886885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).