N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide

C16H14N2O5S — CID 100820442

IUPACN-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C16H14N2O5S/c1-2-23-11-5-3-10(4-6-11)18-24(21,22)12-7-8-13-14(9-12)16(20)17-15(13)19/h3-9,18H,2H2,1H3,(H,17,19,20)
InChIKeyNGPKHONVICOFBK-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.77
Rot. Bonds5

About N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide

N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 100820442) has the molecular formula C16H14N2O5S and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
PubChem CID100820442
Molecular FormulaC16H14N2O5S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC NameN-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C16H14N2O5S/c1-2-23-11-5-3-10(4-6-11)18-24(21,22)12-7-8-13-14(9-12)16(20)17-15(13)19/h3-9,18H,2H2,1H3,(H,17,19,20)
InChIKeyNGPKHONVICOFBK-UHFFFAOYSA-N
XLogP1.77
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.77
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

N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
CID 1244571
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide
CID 62057274
N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide
CID 56560691
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995
N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 56582438
4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide
CID 2330567
N-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 20903343
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide (CID 100820442) is N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is NGPKHONVICOFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S/c1-2-23-11-5-3-10(4-6-11)18-24(21,22)12-7-8-13-14(9-12)16(20)17-15(13)19/h3-9,18H,2H2,1H3,(H,17,19,20).
What are the key properties of N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide?
N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 346.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 100820442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).