4-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide

C15H10Cl2N2O4S — CID 73347324

IUPAC4-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
InChIInChI=1S/C15H10Cl2N2O4S/c16-12-5-10-11(6-13(12)17)15(21)19(14(10)20)7-8-1-3-9(4-2-8)24(18,22)23/h1-6H,7H2,(H2,18,22,23)
InChIKeyLQCOMFWTPKKPBD-UHFFFAOYSA-N
MW385.23 g/mol
LogP2.44
Rot. Bonds3

About 4-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide

4-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide (PubChem CID 73347324) has the molecular formula C15H10Cl2N2O4S and a molecular weight of 385.23 g/mol. Its IUPAC name is 4-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
PubChem CID73347324
Molecular FormulaC15H10Cl2N2O4S
Molecular Weight385.23 g/mol
Exact Mass383.97
IUPAC Name4-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
InChIInChI=1S/C15H10Cl2N2O4S/c16-12-5-10-11(6-13(12)17)15(21)19(14(10)20)7-8-1-3-9(4-2-8)24(18,22)23/h1-6H,7H2,(H2,18,22,23)
InChIKeyLQCOMFWTPKKPBD-UHFFFAOYSA-N
XLogP2.44
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 52.44
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-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide (CID 73347324) is 4-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1.
What is the InChIKey of 4-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide?
The InChIKey is LQCOMFWTPKKPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O4S/c16-12-5-10-11(6-13(12)17)15(21)19(14(10)20)7-8-1-3-9(4-2-8)24(18,22)23/h1-6H,7H2,(H2,18,22,23).
What are the key properties of 4-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide?
4-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide has a molecular weight of 385.23 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 73347324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).