N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C18H16ClN3O5S — CID 4804966

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H16ClN3O5S/c1-21(2)28(26,27)11-7-8-14(19)15(9-11)20-16(23)10-22-17(24)12-5-3-4-6-13(12)18(22)25/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyXREIXOVMXDRBAP-UHFFFAOYSA-N
MW421.86 g/mol
LogP1.83
Rot. Bonds5

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 4804966) has the molecular formula C18H16ClN3O5S and a molecular weight of 421.86 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID4804966
Molecular FormulaC18H16ClN3O5S
Molecular Weight421.86 g/mol
Exact Mass421.05
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H16ClN3O5S/c1-21(2)28(26,27)11-7-8-14(19)15(9-11)20-16(23)10-22-17(24)12-5-3-4-6-13(12)18(22)25/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyXREIXOVMXDRBAP-UHFFFAOYSA-N
XLogP1.83
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 4072184
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 3312619
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 4304927
2-(4-benzyl-1,4-diazepan-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide
CID 16618242
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide
CID 21339599
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide
CID 51170623
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4022238
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40776806
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 7746228
methyl 1-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742574
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7654876
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium
CID 8867441

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 4804966) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is XREIXOVMXDRBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O5S/c1-21(2)28(26,27)11-7-8-14(19)15(9-11)20-16(23)10-22-17(24)12-5-3-4-6-13(12)18(22)25/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 421.86 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 4804966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).