2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)ethanesulfonamide

C18H15N3O5S — CID 110356730

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)ethanesulfonamide
SMILESCc1nc2cccc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)c2o1
InChIInChI=1S/C18H15N3O5S/c1-11-19-14-7-4-8-15(16(14)26-11)20-27(24,25)10-9-21-17(22)12-5-2-3-6-13(12)18(21)23/h2-8,20H,9-10H2,1H3
InChIKeyQYHDHCAQEBRJHG-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.17
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)ethanesulfonamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)ethanesulfonamide (PubChem CID 110356730) has the molecular formula C18H15N3O5S and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)ethanesulfonamide
PubChem CID110356730
Molecular FormulaC18H15N3O5S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)ethanesulfonamide
SMILESCc1nc2cccc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)c2o1
InChIInChI=1S/C18H15N3O5S/c1-11-19-14-7-4-8-15(16(14)26-11)20-27(24,25)10-9-21-17(22)12-5-2-3-6-13(12)18(21)23/h2-8,20H,9-10H2,1H3
InChIKeyQYHDHCAQEBRJHG-UHFFFAOYSA-N
XLogP2.17
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide
CID 617178
2-(1,3-dioxoisoindol-2-yl)-N-(4-iodophenyl)ethanesulfonamide
CID 45379603
2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide
CID 83813899
1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110417873
2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide
CID 110288623
2-(1,3-dioxoisoindol-2-yl)-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethanesulfonamide
CID 58565717
2-[2-[2-(2-methylbenzimidazol-1-yl)ethylsulfonyl]ethyl]isoindole-1,3-dione
CID 70329737
2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide
CID 110287773
2-[2-[(2-tert-butyl-6-chloro-1,3-benzoxazol-7-yl)sulfonyl]ethyl]isoindole-1,3-dione
CID 155248981
N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-(2-methylphenyl)acetamide
CID 55758157
2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide
CID 110398464
1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 63666407

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)ethanesulfonamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)ethanesulfonamide (CID 110356730) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)ethanesulfonamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)ethanesulfonamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)ethanesulfonamide is Cc1nc2cccc(NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)c2o1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)ethanesulfonamide?
The InChIKey is QYHDHCAQEBRJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5S/c1-11-19-14-7-4-8-15(16(14)26-11)20-27(24,25)10-9-21-17(22)12-5-2-3-6-13(12)18(21)23/h2-8,20H,9-10H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)ethanesulfonamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)ethanesulfonamide has a molecular weight of 385.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-7-yl)ethanesulfonamide is sourced from PubChem (CID 110356730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).