3-chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide

C14H5Cl5N2O4S — CID 71770183

IUPAC3-chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c(Cl)c1
InChIInChI=1S/C14H5Cl5N2O4S/c15-5-3-4(26(20,24)25)1-2-6(5)21-13(22)7-8(14(21)23)10(17)12(19)11(18)9(7)16/h1-3H,(H2,20,24,25)
InChIKeyOOXGTQNRDBHNEC-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.40
Rot. Bonds2

About 3-chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide

3-chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide (PubChem CID 71770183) has the molecular formula C14H5Cl5N2O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is 3-chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
PubChem CID71770183
Molecular FormulaC14H5Cl5N2O4S
Molecular Weight474.54 g/mol
Exact Mass471.84
IUPAC Name3-chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c(Cl)c1
InChIInChI=1S/C14H5Cl5N2O4S/c15-5-3-4(26(20,24)25)1-2-6(5)21-13(22)7-8(14(21)23)10(17)12(19)11(18)9(7)16/h1-3H,(H2,20,24,25)
InChIKeyOOXGTQNRDBHNEC-UHFFFAOYSA-N
XLogP4.40
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 73350410
4-(4,5,6,7-Tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 13177311
3-(4,5,6,7-Tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 71770180
2-(4,5,6,7-Tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 71770181
3-Fluoro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 71770182
3-Bromo-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 71770184
N-Phenyltetrachlorophthalimide
CID 319375
2-(4-(1-Acetyl-2-oxoindolin-3-ylideneamino)phenylsulfonyl)-4,5,6,7-tetrachloroisoindoline-1,3-dione
CID 44254659
N-[4-(4,5,6,7-Tetrachloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-YL)benzenesulfonyl]acetamide
CID 3638143
4,5,6,7-Tetrachloro-2-[4-(4-nitrobenzenesulfonyl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione
CID 23885144
Tecloftalam Imide
CID 1726629
4,5,6,7-tetrachloro-2-(2,5-dichlorophenyl)-1H-isoindole-1,3(2H)-dione
CID 3396837

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide (CID 71770183) is 3-chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The InChIKey is OOXGTQNRDBHNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5Cl5N2O4S/c15-5-3-4(26(20,24)25)1-2-6(5)21-13(22)7-8(14(21)23)10(17)12(19)11(18)9(7)16/h1-3H,(H2,20,24,25).
What are the key properties of 3-chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide?
3-chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide has a molecular weight of 474.54 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71770183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).