4-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(2-methoxyphenyl)benzenesulfonamide

C23H20ClN3O5S — CID 98395225

IUPAC4-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C23H20ClN3O5S/c1-32-21-8-3-2-7-19(21)26-33(30,31)18-11-9-16(10-12-18)25-20-14-22(28)27(23(20)29)17-6-4-5-15(24)13-17/h2-13,20,25-26H,14H2,1H3/t20-/m0/s1
InChIKeyDOPJNIYJBDFFJU-FQEVSTJZSA-N
MW485.95 g/mol
LogP3.89
Rot. Bonds7

About 4-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(2-methoxyphenyl)benzenesulfonamide

4-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 98395225) has the molecular formula C23H20ClN3O5S and a molecular weight of 485.95 g/mol. Its IUPAC name is 4-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID98395225
Molecular FormulaC23H20ClN3O5S
Molecular Weight485.95 g/mol
Exact Mass485.08
IUPAC Name4-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1
InChIInChI=1S/C23H20ClN3O5S/c1-32-21-8-3-2-7-19(21)26-33(30,31)18-11-9-16(10-12-18)25-20-14-22(28)27(23(20)29)17-6-4-5-15(24)13-17/h2-13,20,25-26H,14H2,1H3/t20-/m0/s1
InChIKeyDOPJNIYJBDFFJU-FQEVSTJZSA-N
XLogP3.89
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
(3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione
CID 1354771
(3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 98188137
1-(3-bromophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2858838
(3S)-1-(4-fluorophenyl)-3-(2-methoxyanilino)pyrrolidine-2,5-dione
CID 93235253
1-(3-chlorophenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 43844800
(3S)-1-(3-chloro-4-methoxyphenyl)-3-(4-methylanilino)pyrrolidine-2,5-dione
CID 7509360
(3S)-3-(2-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860123
(3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2085481
(3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 93235214
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 45149279
(3R)-3-(2-ethoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860106

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(2-methoxyphenyl)benzenesulfonamide (CID 98395225) is 4-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1.
What is the InChIKey of 4-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is DOPJNIYJBDFFJU-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H20ClN3O5S/c1-32-21-8-3-2-7-19(21)26-33(30,31)18-11-9-16(10-12-18)25-20-14-22(28)27(23(20)29)17-6-4-5-15(24)13-17/h2-13,20,25-26H,14H2,1H3/t20-/m0/s1.
What are the key properties of 4-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(2-methoxyphenyl)benzenesulfonamide?
4-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 485.95 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 98395225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).