N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide

C21H16N2O4S — CID 110352354

IUPACN-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H16N2O4S/c1-14-6-2-5-9-19(14)28(26,27)22-15-10-12-16(13-11-15)23-20(24)17-7-3-4-8-18(17)21(23)25/h2-13,22H,1H3
InChIKeyIZKIYJMBTJEADO-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.60
Rot. Bonds4

About N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide

N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide (PubChem CID 110352354) has the molecular formula C21H16N2O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide
PubChem CID110352354
Molecular FormulaC21H16N2O4S
Molecular Weight392.44 g/mol
Exact Mass392.08
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H16N2O4S/c1-14-6-2-5-9-19(14)28(26,27)22-15-10-12-16(13-11-15)23-20(24)17-7-3-4-8-18(17)21(23)25/h2-13,22H,1H3
InChIKeyIZKIYJMBTJEADO-UHFFFAOYSA-N
XLogP3.60
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide (CID 110352354) is N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide?
The InChIKey is IZKIYJMBTJEADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4S/c1-14-6-2-5-9-19(14)28(26,27)22-15-10-12-16(13-11-15)23-20(24)17-7-3-4-8-18(17)21(23)25/h2-13,22H,1H3.
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide?
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 110352354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).