N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide

C27H20ClIN2O4S — CID 23858946

IUPACN-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESO=C1CC(N(Cc2ccccc2Cl)S(=O)(=O)c2ccc3ccccc3c2)C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C27H20ClIN2O4S/c28-24-8-4-3-7-20(24)17-30(36(34,35)23-14-9-18-5-1-2-6-19(18)15-23)25-16-26(32)31(27(25)33)22-12-10-21(29)11-13-22/h1-15,25H,16-17H2
InChIKeyQANPLTCGSTZQQZ-UHFFFAOYSA-N
MW630.89 g/mol
LogP5.62
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide

N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 23858946) has the molecular formula C27H20ClIN2O4S and a molecular weight of 630.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
PubChem CID23858946
Molecular FormulaC27H20ClIN2O4S
Molecular Weight630.89 g/mol
Exact Mass629.99
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESO=C1CC(N(Cc2ccccc2Cl)S(=O)(=O)c2ccc3ccccc3c2)C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C27H20ClIN2O4S/c28-24-8-4-3-7-20(24)17-30(36(34,35)23-14-9-18-5-1-2-6-19(18)15-23)25-16-26(32)31(27(25)33)22-12-10-21(29)11-13-22/h1-15,25H,16-17H2
InChIKeyQANPLTCGSTZQQZ-UHFFFAOYSA-N
XLogP5.62
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.89
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-[(2-chlorophenyl)methyl-naphthalen-2-ylsulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23801844
N-[(2-chlorophenyl)methyl]-4-methoxy-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23772798
N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23858960
N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23886751
N-benzyl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23743625
N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 25044940
N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 23858933
N-[(2-chlorophenyl)methyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 23830752
N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 25046261
N-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23998603
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide
CID 23886736
N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23802161

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 23858946) is N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide is O=C1CC(N(Cc2ccccc2Cl)S(=O)(=O)c2ccc3ccccc3c2)C(=O)N1c1ccc(I)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is QANPLTCGSTZQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClIN2O4S/c28-24-8-4-3-7-20(24)17-30(36(34,35)23-14-9-18-5-1-2-6-19(18)15-23)25-16-26(32)31(27(25)33)22-12-10-21(29)11-13-22/h1-15,25H,16-17H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 630.89 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 23858946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).