N-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide

C19H17Cl2N3O5S — CID 55795473

IUPACN-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NCCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C19H17Cl2N3O5S/c20-15-8-13-14(9-16(15)21)19(27)24(18(13)26)11-17(25)22-6-7-30(28,29)23-10-12-4-2-1-3-5-12/h1-5,8-9,23H,6-7,10-11H2,(H,22,25)
InChIKeyOJTUBKVLEGPEJN-UHFFFAOYSA-N
MW470.33 g/mol
LogP1.83
Rot. Bonds8

About N-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide

N-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 55795473) has the molecular formula C19H17Cl2N3O5S and a molecular weight of 470.33 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID55795473
Molecular FormulaC19H17Cl2N3O5S
Molecular Weight470.33 g/mol
Exact Mass469.03
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NCCS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C19H17Cl2N3O5S/c20-15-8-13-14(9-16(15)21)19(27)24(18(13)26)11-17(25)22-6-7-30(28,29)23-10-12-4-2-1-3-5-12/h1-5,8-9,23H,6-7,10-11H2,(H,22,25)
InChIKeyOJTUBKVLEGPEJN-UHFFFAOYSA-N
XLogP1.83
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 2708445
2-amino-N-[2-(benzylsulfamoyl)ethyl]acetamide
CID 119289553
2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide
CID 110601301
N-[2-(benzylsulfamoyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119723679
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9304258
N-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide
CID 112842593
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 113201305
N-[2-(benzylsulfamoyl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55726823
N-(2-benzylphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 2708377
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2708425
N-[2-(benzylsulfamoyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55726450
N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 39211611

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide (CID 55795473) is N-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NCCS(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is OJTUBKVLEGPEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O5S/c20-15-8-13-14(9-16(15)21)19(27)24(18(13)26)11-17(25)22-6-7-30(28,29)23-10-12-4-2-1-3-5-12/h1-5,8-9,23H,6-7,10-11H2,(H,22,25).
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
N-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 470.33 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 55795473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).