N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C19H15N3O4S2 — CID 27805492

IUPACN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H15N3O4S2/c23-17-15-8-4-5-9-16(15)18(24)21(17)11-12-22(19-20-10-13-27-19)28(25,26)14-6-2-1-3-7-14/h1-10,13H,11-12H2
InChIKeyIBCLESNWQVHPNT-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.63
Rot. Bonds6

About N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 27805492) has the molecular formula C19H15N3O4S2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID27805492
Molecular FormulaC19H15N3O4S2
Molecular Weight413.48 g/mol
Exact Mass413.05
IUPAC NameN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H15N3O4S2/c23-17-15-8-4-5-9-16(15)18(24)21(17)11-12-22(19-20-10-13-27-19)28(25,26)14-6-2-1-3-7-14/h1-10,13H,11-12H2
InChIKeyIBCLESNWQVHPNT-UHFFFAOYSA-N
XLogP2.63
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 51108485
N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 124876257
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 17455908
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 27805787
N-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 24598704
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 25494444
N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 55528148
N-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 35433851
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 11813935
2-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]isoindole-1,3-dione
CID 95901390
2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione
CID 174265300
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 55403828

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 27805492) is N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1c2ccccc2C(=O)N1CCN(c1nccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IBCLESNWQVHPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S2/c23-17-15-8-4-5-9-16(15)18(24)21(17)11-12-22(19-20-10-13-27-19)28(25,26)14-6-2-1-3-7-14/h1-10,13H,11-12H2.
What are the key properties of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 413.48 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 27805492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).