N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide

C15H12N2O5S — CID 100820383

IUPACN-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
SMILESCc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C15H12N2O5S/c1-8-6-9(18)2-5-13(8)17-23(21,22)10-3-4-11-12(7-10)15(20)16-14(11)19/h2-7,17-18H,1H3,(H,16,19,20)
InChIKeyTVPNKGADVBOUED-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.39
Rot. Bonds3

About N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide

N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 100820383) has the molecular formula C15H12N2O5S and a molecular weight of 332.34 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
PubChem CID100820383
Molecular FormulaC15H12N2O5S
Molecular Weight332.34 g/mol
Exact Mass332.05
IUPAC NameN-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
SMILESCc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C15H12N2O5S/c1-8-6-9(18)2-5-13(8)17-23(21,22)10-3-4-11-12(7-10)15(20)16-14(11)19/h2-7,17-18H,1H3,(H,16,19,20)
InChIKeyTVPNKGADVBOUED-UHFFFAOYSA-N
XLogP1.39
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 95234534
1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide
CID 98986189
N-[2-(methylamino)-5-(methylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56582379
4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 3315949
3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 106606177
N-(4-fluoro-2-methylphenyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 46281916
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56560913
N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide
CID 56560691
5,6-dichloro-N-(4-hydroxy-2-methylphenyl)pyridine-3-sulfonamide
CID 64606325
N-(4-hydroxy-2-methylphenyl)-2-methyl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide
CID 75366560
N-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820442
N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 56582438

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide (CID 100820383) is N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide is Cc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is TVPNKGADVBOUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5S/c1-8-6-9(18)2-5-13(8)17-23(21,22)10-3-4-11-12(7-10)15(20)16-14(11)19/h2-7,17-18H,1H3,(H,16,19,20).
What are the key properties of N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide?
N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 332.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 100820383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).