[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide

C21H21N3O4S — CID 70378763

IUPAC[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide
SMILESCn1cc(CCCN2C(=O)c3ccccc3C2=O)c2cc(CS(N)(=O)=O)ccc21
InChIInChI=1S/C21H21N3O4S/c1-23-12-15(18-11-14(8-9-19(18)23)13-29(22,27)28)5-4-10-24-20(25)16-6-2-3-7-17(16)21(24)26/h2-3,6-9,11-12H,4-5,10,13H2,1H3,(H2,22,27,28)
InChIKeyOJQURVQPRFCSSJ-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.20
Rot. Bonds6

About [3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide

[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide (PubChem CID 70378763) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is [3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide.

Molecular Properties

Compound Name[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide
PubChem CID70378763
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide
SMILESCn1cc(CCCN2C(=O)c3ccccc3C2=O)c2cc(CS(N)(=O)=O)ccc21
InChIInChI=1S/C21H21N3O4S/c1-23-12-15(18-11-14(8-9-19(18)23)13-29(22,27)28)5-4-10-24-20(25)16-6-2-3-7-17(16)21(24)26/h2-3,6-9,11-12H,4-5,10,13H2,1H3,(H2,22,27,28)
InChIKeyOJQURVQPRFCSSJ-UHFFFAOYSA-N
XLogP2.20
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.20
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

[3-(3-iodopropyl)-1-methylindol-5-yl]methanesulfonamide
CID 67808139
N-[[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylindol-5-yl]methyl]formamide
CID 12803132
2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide
CID 67930893
3-[3-[2-(dimethylamino)ethyl]-1-methylindol-5-yl]propane-1-sulfonamide
CID 70420220
[3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide
CID 70378764
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906585
2-[3-(6-methoxy-3-pyridinyl)propyl]isoindole-1,3-dione
CID 146273598
2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione
CID 58707349
CID 171374663
CID 171374663
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
2-[6-(4-bromophenyl)hexyl]isoindole-1,3-dione
CID 68789192

Frequently Asked Questions

What is the IUPAC name of [3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide?
The IUPAC name of [3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide (CID 70378763) is [3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide.
What is the SMILES notation for [3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide?
The canonical SMILES for [3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide is Cn1cc(CCCN2C(=O)c3ccccc3C2=O)c2cc(CS(N)(=O)=O)ccc21.
What is the InChIKey of [3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide?
The InChIKey is OJQURVQPRFCSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-23-12-15(18-11-14(8-9-19(18)23)13-29(22,27)28)5-4-10-24-20(25)16-6-2-3-7-17(16)21(24)26/h2-3,6-9,11-12H,4-5,10,13H2,1H3,(H2,22,27,28).
What are the key properties of [3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide?
[3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide has a molecular weight of 411.48 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylindol-5-yl]methanesulfonamide is sourced from PubChem (CID 70378763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).