N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide

C28H23ClN2O4S — CID 23858933

IUPACN-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide
SMILESO=C1CC(N(CCc2cccc(Cl)c2)S(=O)(=O)c2ccc3ccccc3c2)C(=O)N1c1ccccc1
InChIInChI=1S/C28H23ClN2O4S/c29-23-10-6-7-20(17-23)15-16-30(26-19-27(32)31(28(26)33)24-11-2-1-3-12-24)36(34,35)25-14-13-21-8-4-5-9-22(21)18-25/h1-14,17-18,26H,15-16,19H2
InChIKeyWKBWVTJGQJKGGP-UHFFFAOYSA-N
MW519.02 g/mol
LogP5.06
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide

N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide (PubChem CID 23858933) has the molecular formula C28H23ClN2O4S and a molecular weight of 519.02 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide
PubChem CID23858933
Molecular FormulaC28H23ClN2O4S
Molecular Weight519.02 g/mol
Exact Mass518.11
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide
SMILESO=C1CC(N(CCc2cccc(Cl)c2)S(=O)(=O)c2ccc3ccccc3c2)C(=O)N1c1ccccc1
InChIInChI=1S/C28H23ClN2O4S/c29-23-10-6-7-20(17-23)15-16-30(26-19-27(32)31(28(26)33)24-11-2-1-3-12-24)36(34,35)25-14-13-21-8-4-5-9-22(21)18-25/h1-14,17-18,26H,15-16,19H2
InChIKeyWKBWVTJGQJKGGP-UHFFFAOYSA-N
XLogP5.06
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.02
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 23942833
N-[2-(3-chlorophenyl)ethyl]-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 23830691
ethyl 4-[3-[benzenesulfonyl-[2-(3-chlorophenyl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23801832
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 23859022
4-[2-[(4-chlorophenyl)sulfonyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzenesulfonamide
CID 25048801
N-benzyl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23743625
4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25037912
[4-[3-[2-(3-chlorophenyl)ethyl-(2,5-dichlorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23886797
N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23858946
4-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)benzenesulfonamide
CID 23998649
N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)butanamide
CID 23998873
4-chloro-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 23886824

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide (CID 23858933) is N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide is O=C1CC(N(CCc2cccc(Cl)c2)S(=O)(=O)c2ccc3ccccc3c2)C(=O)N1c1ccccc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide?
The InChIKey is WKBWVTJGQJKGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN2O4S/c29-23-10-6-7-20(17-23)15-16-30(26-19-27(32)31(28(26)33)24-11-2-1-3-12-24)36(34,35)25-14-13-21-8-4-5-9-22(21)18-25/h1-14,17-18,26H,15-16,19H2.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide?
N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide has a molecular weight of 519.02 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 23858933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).