N-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide

C21H20N4O5S — CID 71767092

IUPACN-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide
SMILESCc1cc(CN(CCCN2C(=O)c3ccccc3C2=O)S(=O)(=O)c2cccnc2)on1
InChIInChI=1S/C21H20N4O5S/c1-15-12-16(30-23-15)14-24(31(28,29)17-6-4-9-22-13-17)10-5-11-25-20(26)18-7-2-3-8-19(18)21(25)27/h2-4,6-9,12-13H,5,10-11,14H2,1H3
InChIKeySSKJFOKVTHQBON-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.26
Rot. Bonds8

About N-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide

N-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide (PubChem CID 71767092) has the molecular formula C21H20N4O5S and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide
PubChem CID71767092
Molecular FormulaC21H20N4O5S
Molecular Weight440.48 g/mol
Exact Mass440.12
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide
SMILESCc1cc(CN(CCCN2C(=O)c3ccccc3C2=O)S(=O)(=O)c2cccnc2)on1
InChIInChI=1S/C21H20N4O5S/c1-15-12-16(30-23-15)14-24(31(28,29)17-6-4-9-22-13-17)10-5-11-25-20(26)18-7-2-3-8-19(18)21(25)27/h2-4,6-9,12-13H,5,10-11,14H2,1H3
InChIKeySSKJFOKVTHQBON-UHFFFAOYSA-N
XLogP2.26
TPSA113.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[3,5-bis[[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]-2,4,6-trimethylphenyl]methyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylbenzenesulfonamide
CID 10510561
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide
CID 90537739
N-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-[4-[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]-3,3-difluorobutyl]-4-methylbenzenesulfonamide
CID 21288463
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 11813935
methyl 6-[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]hexanoate
CID 594753
N-benzyl-N-(2-bromoethyl)pyridine-3-sulfonamide
CID 80673646
N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide
CID 63396584
3-[4-(1,3-dioxoisoindol-2-yl)butyl-(4-methylphenyl)sulfonylamino]propyl methanesulfonate
CID 19860702
2-(10-pyridin-3-yldecyl)isoindole-1,3-dione
CID 11394426
bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
CID 134307088
N-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 90230068
N-(2,2-difluoro-4-hydroxybutyl)-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methylbenzenesulfonamide
CID 70438760

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide (CID 71767092) is N-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide is Cc1cc(CN(CCCN2C(=O)c3ccccc3C2=O)S(=O)(=O)c2cccnc2)on1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is SSKJFOKVTHQBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5S/c1-15-12-16(30-23-15)14-24(31(28,29)17-6-4-9-22-13-17)10-5-11-25-20(26)18-7-2-3-8-19(18)21(25)27/h2-4,6-9,12-13H,5,10-11,14H2,1H3.
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide?
N-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 440.48 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 71767092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).