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

C19H20N2O4S — CID 71602471

IUPAC4-[(5-tert-butyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc2c(c1)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O
InChIInChI=1S/C19H20N2O4S/c1-19(2,3)13-6-9-15-16(10-13)18(23)21(17(15)22)11-12-4-7-14(8-5-12)26(20,24)25/h4-10H,11H2,1-3H3,(H2,20,24,25)
InChIKeyKZMYUJCSCDCHAA-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.43
Rot. Bonds3

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

4-[(5-tert-butyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide (PubChem CID 71602471) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-[(5-tert-butyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-tert-butyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
PubChem CID71602471
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name4-[(5-tert-butyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc2c(c1)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O
InChIInChI=1S/C19H20N2O4S/c1-19(2,3)13-6-9-15-16(10-13)18(23)21(17(15)22)11-12-4-7-14(8-5-12)26(20,24)25/h4-10H,11H2,1-3H3,(H2,20,24,25)
InChIKeyKZMYUJCSCDCHAA-UHFFFAOYSA-N
XLogP2.43
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.43
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-tert-butyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(5-tert-butyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide (CID 71602471) is 4-[(5-tert-butyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(5-tert-butyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(5-tert-butyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide is CC(C)(C)c1ccc2c(c1)C(=O)N(Cc1ccc(S(N)(=O)=O)cc1)C2=O.
What is the InChIKey of 4-[(5-tert-butyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide?
The InChIKey is KZMYUJCSCDCHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-19(2,3)13-6-9-15-16(10-13)18(23)21(17(15)22)11-12-4-7-14(8-5-12)26(20,24)25/h4-10H,11H2,1-3H3,(H2,20,24,25).
What are the key properties of 4-[(5-tert-butyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide?
4-[(5-tert-butyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71602471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).