3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide

C14H8Cl2N2O4S — CID 168519790

IUPAC3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(N2C(=O)c3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C14H8Cl2N2O4S/c15-10-5-7(23(17,21)22)6-11(16)12(10)18-13(19)8-3-1-2-4-9(8)14(18)20/h1-6H,(H2,17,21,22)
InChIKeyHTVOWCFXDXPNPG-UHFFFAOYSA-N
MW371.20 g/mol
LogP2.44
Rot. Bonds2

About 3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide

3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide (PubChem CID 168519790) has the molecular formula C14H8Cl2N2O4S and a molecular weight of 371.20 g/mol. Its IUPAC name is 3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
PubChem CID168519790
Molecular FormulaC14H8Cl2N2O4S
Molecular Weight371.20 g/mol
Exact Mass369.96
IUPAC Name3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(N2C(=O)c3ccccc3C2=O)c(Cl)c1
InChIInChI=1S/C14H8Cl2N2O4S/c15-10-5-7(23(17,21)22)6-11(16)12(10)18-13(19)8-3-1-2-4-9(8)14(18)20/h1-6H,(H2,17,21,22)
InChIKeyHTVOWCFXDXPNPG-UHFFFAOYSA-N
XLogP2.44
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
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 3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide (CID 168519790) is 3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide is NS(=O)(=O)c1cc(Cl)c(N2C(=O)c3ccccc3C2=O)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The InChIKey is HTVOWCFXDXPNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O4S/c15-10-5-7(23(17,21)22)6-11(16)12(10)18-13(19)8-3-1-2-4-9(8)14(18)20/h1-6H,(H2,17,21,22).
What are the key properties of 3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide has a molecular weight of 371.20 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide is sourced from PubChem (CID 168519790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).