4-tert-butyl-N-[7-chloro-2-(1-methyl-2H-pyridin-5-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide

C24H24ClN3O4S — CID 123432455

IUPAC4-tert-butyl-N-[7-chloro-2-(1-methyl-2H-pyridin-5-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
SMILESCN1C=C(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)C=CC1
InChIInChI=1S/C24H24ClN3O4S/c1-24(2,3)15-7-9-17(10-8-15)33(31,32)26-19-12-11-18(25)20-21(19)23(30)28(22(20)29)16-6-5-13-27(4)14-16/h5-12,14,26H,13H2,1-4H3
InChIKeyXTZZAIBBNCHOSG-UHFFFAOYSA-N
MW485.99 g/mol
LogP4.38
Rot. Bonds4

About 4-tert-butyl-N-[7-chloro-2-(1-methyl-2H-pyridin-5-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide

4-tert-butyl-N-[7-chloro-2-(1-methyl-2H-pyridin-5-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide (PubChem CID 123432455) has the molecular formula C24H24ClN3O4S and a molecular weight of 485.99 g/mol. Its IUPAC name is 4-tert-butyl-N-[7-chloro-2-(1-methyl-2H-pyridin-5-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[7-chloro-2-(1-methyl-2H-pyridin-5-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
PubChem CID123432455
Molecular FormulaC24H24ClN3O4S
Molecular Weight485.99 g/mol
Exact Mass485.12
IUPAC Name4-tert-butyl-N-[7-chloro-2-(1-methyl-2H-pyridin-5-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
SMILESCN1C=C(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)C=CC1
InChIInChI=1S/C24H24ClN3O4S/c1-24(2,3)15-7-9-17(10-8-15)33(31,32)26-19-12-11-18(25)20-21(19)23(30)28(22(20)29)16-6-5-13-27(4)14-16/h5-12,14,26H,13H2,1-4H3
InChIKeyXTZZAIBBNCHOSG-UHFFFAOYSA-N
XLogP4.38
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[7-chloro-2-(5-methoxy-6-methyl-2-pyridinyl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 118204670
4-tert-butyl-N-[7-chloro-2-[(4-methyl-3-pyridinyl)methyl]-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 118204615
4-tert-butyl-N-[7-chloro-2-(5-ethyl-3-pyridinyl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 137447672
4-tert-butyl-N-[7-chloro-1,3-dioxo-2-(pyridin-2-ylmethyl)isoindol-4-yl]benzenesulfonamide
CID 118204692
4-tert-butyl-N-[7-chloro-2-[(1-hydroxy-6-methylpyridin-1-ium-3-yl)methyl]-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 134501935
[5-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]-4-methyl-3-pyridinyl] methanesulfonate
CID 137447547
4-tert-butyl-N-[7-chloro-2-(5-methoxy-4-methyl-2-pyridinyl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 118204624
4-tert-butyl-N-[7-chloro-2-(6-ethoxy-1-oxidopyridin-1-ium-2-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 118204763
4-tert-butyl-N-[7-chloro-2-(2-cyano-5-methyl-3-pyridinyl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 118205008
4-tert-butyl-N-[7-chloro-2-[(5-hydroxy-3-pyridinyl)methyl]-1,3-dioxoisoindol-4-yl]benzenesulfonamide
CID 144874800
4-tert-butyl-N-[7-chloro-2-(1,5-dimethylpyrazol-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;4-tert-butyl-N-[7-chloro-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindol-4-yl]benzenesulfonamide;methyl 5-[4-[(4-tert-butylphenyl)sulfonylamino]-7-chloro-1,3-dioxoisoindol-2-yl]-1-methyl-4H-pyrazol-1-ium-3-carboxylate
CID 158344438
4-tert-butyl-N-(7-cyclopropyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide
CID 118197471

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[7-chloro-2-(1-methyl-2H-pyridin-5-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[7-chloro-2-(1-methyl-2H-pyridin-5-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide (CID 123432455) is 4-tert-butyl-N-[7-chloro-2-(1-methyl-2H-pyridin-5-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[7-chloro-2-(1-methyl-2H-pyridin-5-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[7-chloro-2-(1-methyl-2H-pyridin-5-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide is CN1C=C(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)C=CC1.
What is the InChIKey of 4-tert-butyl-N-[7-chloro-2-(1-methyl-2H-pyridin-5-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide?
The InChIKey is XTZZAIBBNCHOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4S/c1-24(2,3)15-7-9-17(10-8-15)33(31,32)26-19-12-11-18(25)20-21(19)23(30)28(22(20)29)16-6-5-13-27(4)14-16/h5-12,14,26H,13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[7-chloro-2-(1-methyl-2H-pyridin-5-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide?
4-tert-butyl-N-[7-chloro-2-(1-methyl-2H-pyridin-5-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide has a molecular weight of 485.99 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[7-chloro-2-(1-methyl-2H-pyridin-5-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide is sourced from PubChem (CID 123432455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).