4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide

C14H9ClN2O4S — CID 168519429

IUPAC4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C14H9ClN2O4S/c15-11-6-5-8(22(16,20)21)7-12(11)17-13(18)9-3-1-2-4-10(9)14(17)19/h1-7H,(H2,16,20,21)
InChIKeyOWYQHLMUONMOOJ-UHFFFAOYSA-N
MW336.76 g/mol
LogP1.79
Rot. Bonds2

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

4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide (PubChem CID 168519429) has the molecular formula C14H9ClN2O4S and a molecular weight of 336.76 g/mol. Its IUPAC name is 4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
PubChem CID168519429
Molecular FormulaC14H9ClN2O4S
Molecular Weight336.76 g/mol
Exact Mass336.00
IUPAC Name4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C14H9ClN2O4S/c15-11-6-5-8(22(16,20)21)7-12(11)17-13(18)9-3-1-2-4-10(9)14(17)19/h1-7H,(H2,16,20,21)
InChIKeyOWYQHLMUONMOOJ-UHFFFAOYSA-N
XLogP1.79
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.76
LogP ≤ 51.79
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

3,5-dichloro-4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 168519790
2-(2-chloro-5-nitrophenyl)isoindole-1,3-dione
CID 677455
2-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]isoindole-1,3-dione
CID 168517724
2-(1,3-dioxoisoindol-2-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 168518858
2,5-bis(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 137429251
2-(2-chloro-3-methyl-5-methylsulfonylphenyl)isoindole-1,3-dione
CID 168518033
[2,4-dichloro-5-(1,3-dioxoisoindol-2-yl)phenyl]boronic acid
CID 168517976
4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-3-iodobenzenesulfonamide
CID 10812489
2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 168517524
propan-2-yl 4-chloro-3-(1,3-dioxoisoindol-2-yl)benzoate
CID 168516562
2-(3-bromo-2-hydroxy-5-methylsulfonylphenyl)isoindole-1,3-dione
CID 118467727
2-(2,4-dibromo-3,5-dichlorophenyl)isoindole-1,3-dione
CID 168516524

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide (CID 168519429) is 4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(Cl)c(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
The InChIKey is OWYQHLMUONMOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O4S/c15-11-6-5-8(22(16,20)21)7-12(11)17-13(18)9-3-1-2-4-10(9)14(17)19/h1-7H,(H2,16,20,21).
What are the key properties of 4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide?
4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide has a molecular weight of 336.76 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1,3-dioxoisoindol-2-yl)benzenesulfonamide is sourced from PubChem (CID 168519429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).