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

C14H5Cl4FN2O4S — CID 71770182

IUPAC3-fluoro-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(F)c1
InChIInChI=1S/C14H5Cl4FN2O4S/c15-9-7-8(10(16)12(18)11(9)17)14(23)21(13(7)22)6-2-1-4(3-5(6)19)26(20,24)25/h1-3H,(H2,20,24,25)
InChIKeyLOAOSOPCDWHXJF-UHFFFAOYSA-N
MW458.08 g/mol
LogP3.89
Rot. Bonds2

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

3-fluoro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide (PubChem CID 71770182) has the molecular formula C14H5Cl4FN2O4S and a molecular weight of 458.08 g/mol. Its IUPAC name is 3-fluoro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
PubChem CID71770182
Molecular FormulaC14H5Cl4FN2O4S
Molecular Weight458.08 g/mol
Exact Mass455.87
IUPAC Name3-fluoro-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(F)c1
InChIInChI=1S/C14H5Cl4FN2O4S/c15-9-7-8(10(16)12(18)11(9)17)14(23)21(13(7)22)6-2-1-4(3-5(6)19)26(20,24)25/h1-3H,(H2,20,24,25)
InChIKeyLOAOSOPCDWHXJF-UHFFFAOYSA-N
XLogP3.89
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.08
LogP ≤ 53.89
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-fluoro-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-Chloro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 71770183
3-Bromo-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 71770184
N-Phenyltetrachlorophthalimide
CID 319375
4,5,6,7-Tetrachloro-2-(4-fluorophenyl)isoindole-1,3-dione
CID 1625632
AE-848/32727058
CID 1047123
4,5,6,7-Tetrachloro-N-(2-fluorophenyl)phthalimide
CID 139079536
4,5,6,7-Tetrachloro-2-(2,3,4-trifluorophenyl)isoindole-1,3-dione
CID 139081544
4,5,6,7-tetrachloro-2-(4-chlorophenyl)-1H-isoindole-1,3(2H)-dione
CID 3698133

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide (CID 71770182) is 3-fluoro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-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(F)c1.
What is the InChIKey of 3-fluoro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The InChIKey is LOAOSOPCDWHXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5Cl4FN2O4S/c15-9-7-8(10(16)12(18)11(9)17)14(23)21(13(7)22)6-2-1-4(3-5(6)19)26(20,24)25/h1-3H,(H2,20,24,25).
What are the key properties of 3-fluoro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide?
3-fluoro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide has a molecular weight of 458.08 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71770182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).