4-[(5-methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide

C16H14N2O4S — CID 71602412

IUPAC4-[(5-methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc2c(c1)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O
InChIInChI=1S/C16H14N2O4S/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)9-11-3-5-12(6-4-11)23(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
InChIKeyOIRLQQUZMRVLNZ-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.44
Rot. Bonds3

About 4-[(5-methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide

4-[(5-methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide (PubChem CID 71602412) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-[(5-methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
PubChem CID71602412
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name4-[(5-methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc2c(c1)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O
InChIInChI=1S/C16H14N2O4S/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)9-11-3-5-12(6-4-11)23(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
InChIKeyOIRLQQUZMRVLNZ-UHFFFAOYSA-N
XLogP1.44
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.44
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 4-[(5-methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(5-methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide (CID 71602412) is 4-[(5-methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(5-methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(5-methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide is Cc1ccc2c(c1)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O.
What is the InChIKey of 4-[(5-methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide?
The InChIKey is OIRLQQUZMRVLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)9-11-3-5-12(6-4-11)23(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22).
What are the key properties of 4-[(5-methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide?
4-[(5-methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71602412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).