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

C14H8Cl2N2O4S — CID 73350410

IUPAC4-(5,6-dichloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
InChIInChI=1S/C14H8Cl2N2O4S/c15-11-5-9-10(6-12(11)16)14(20)18(13(9)19)7-1-3-8(4-2-7)23(17,21)22/h1-6H,(H2,17,21,22)
InChIKeyOFKBAUDTUFJYFH-UHFFFAOYSA-N
MW371.20 g/mol
LogP2.44
Rot. Bonds2

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

4-(5,6-dichloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide (PubChem CID 73350410) has the molecular formula C14H8Cl2N2O4S and a molecular weight of 371.20 g/mol. Its IUPAC name is 4-(5,6-dichloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5,6-dichloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
PubChem CID73350410
Molecular FormulaC14H8Cl2N2O4S
Molecular Weight371.20 g/mol
Exact Mass369.96
IUPAC Name4-(5,6-dichloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
InChIInChI=1S/C14H8Cl2N2O4S/c15-11-5-9-10(6-12(11)16)14(20)18(13(9)19)7-1-3-8(4-2-7)23(17,21)22/h1-6H,(H2,17,21,22)
InChIKeyOFKBAUDTUFJYFH-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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Related Compounds

CID 3586494
CID 3586494
CID 13177311
CID 13177311
CID 73347324
CID 73347324
CID 680996
CID 680996
CID 71770180
CID 71770180
CID 71770181
CID 71770181
CID 71770182
CID 71770182
CID 71770183
CID 71770183
CID 71770184
CID 71770184
CID 137636505
CID 137636505
CID 155547551
CID 155547551
CID 155561775
CID 155561775

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(5,6-dichloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide (CID 73350410) is 4-(5,6-dichloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5,6-dichloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(5,6-dichloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1.
What is the InChIKey of 4-(5,6-dichloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The InChIKey is OFKBAUDTUFJYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O4S/c15-11-5-9-10(6-12(11)16)14(20)18(13(9)19)7-1-3-8(4-2-7)23(17,21)22/h1-6H,(H2,17,21,22).
What are the key properties of 4-(5,6-dichloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide?
4-(5,6-dichloro-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 4-(5,6-dichloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide is sourced from PubChem (CID 73350410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).