N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide

C15H12N2O5S — CID 1244571

IUPACN-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C15H12N2O5S/c1-22-10-3-5-11(6-4-10)23(20,21)17-9-2-7-12-13(8-9)15(19)16-14(12)18/h2-8,17H,1H3,(H,16,18,19)
InChIKeyOZXOPOQVTQQLKN-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.38
Rot. Bonds4

About N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide

N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide (PubChem CID 1244571) has the molecular formula C15H12N2O5S and a molecular weight of 332.34 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
PubChem CID1244571
Molecular FormulaC15H12N2O5S
Molecular Weight332.34 g/mol
Exact Mass332.05
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C15H12N2O5S/c1-22-10-3-5-11(6-4-10)23(20,21)17-9-2-7-12-13(8-9)15(19)16-14(12)18/h2-8,17H,1H3,(H,16,18,19)
InChIKeyOZXOPOQVTQQLKN-UHFFFAOYSA-N
XLogP1.38
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.38
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

4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 973584
4-methoxy-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 16826883
N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820442
N-[(4Z)-4-(methoxymethylidene)-1,3-dioxoisoquinolin-6-yl]benzenesulfonamide
CID 143496898
4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519475
N-(4-methoxyphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281837
4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110405960
4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724957
5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione
CID 43826105
N-(9H-fluoren-2-yl)-4-methoxybenzenesulfonamide
CID 3775987
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-methoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide
CID 110405654

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide (CID 1244571) is N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide?
The InChIKey is OZXOPOQVTQQLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5S/c1-22-10-3-5-11(6-4-10)23(20,21)17-9-2-7-12-13(8-9)15(19)16-14(12)18/h2-8,17H,1H3,(H,16,18,19).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide?
N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide has a molecular weight of 332.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 1244571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).