2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide

C22H21N5O4S — CID 59652804

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C22H21N5O4S/c28-21-18-3-1-2-4-19(18)22(29)27(21)9-10-32(30,31)25-16-6-5-15-7-8-26(20(15)11-16)13-17-12-23-14-24-17/h1-6,11-12,14,25H,7-10,13H2,(H,23,24)
InChIKeyLZZDLKBHXCKENI-UHFFFAOYSA-N
MW451.51 g/mol
LogP2.01
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide

2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide (PubChem CID 59652804) has the molecular formula C22H21N5O4S and a molecular weight of 451.51 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide
PubChem CID59652804
Molecular FormulaC22H21N5O4S
Molecular Weight451.51 g/mol
Exact Mass451.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C22H21N5O4S/c28-21-18-3-1-2-4-19(18)22(29)27(21)9-10-32(30,31)25-16-6-5-15-7-8-26(20(15)11-16)13-17-12-23-14-24-17/h1-6,11-12,14,25H,7-10,13H2,(H,23,24)
InChIKeyLZZDLKBHXCKENI-UHFFFAOYSA-N
XLogP2.01
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide (CID 59652804) is 2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide is O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CC2.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide?
The InChIKey is LZZDLKBHXCKENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S/c28-21-18-3-1-2-4-19(18)22(29)27(21)9-10-32(30,31)25-16-6-5-15-7-8-26(20(15)11-16)13-17-12-23-14-24-17/h1-6,11-12,14,25H,7-10,13H2,(H,23,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide?
2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide has a molecular weight of 451.51 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide is sourced from PubChem (CID 59652804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).