5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione

C23H26N4O5S — CID 3283445

IUPAC5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C23H26N4O5S/c28-22-20-16-19(33(30,31)26-12-14-32-15-13-26)6-7-21(20)27(23(22)29)17-24-8-10-25(11-9-24)18-4-2-1-3-5-18/h1-7,16H,8-15,17H2
InChIKeyVXMXOIQJAFCBQP-UHFFFAOYSA-N
MW470.55 g/mol
LogP1.02
Rot. Bonds5

About 5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione

5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione (PubChem CID 3283445) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione
PubChem CID3283445
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C23H26N4O5S/c28-22-20-16-19(33(30,31)26-12-14-32-15-13-26)6-7-21(20)27(23(22)29)17-24-8-10-25(11-9-24)18-4-2-1-3-5-18/h1-7,16H,8-15,17H2
InChIKeyVXMXOIQJAFCBQP-UHFFFAOYSA-N
XLogP1.02
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione
CID 4574907
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-morpholin-4-ylsulfonylindole-2,3-dione
CID 4559425
1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione
CID 22109144
1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione
CID 42624536
1-(morpholin-4-ylmethyl)-5-nitroindole-2,3-dione
CID 2828271
5-bromo-1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]indole-2,3-dione
CID 3658866
1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-nitroindole-2,3-dione
CID 3658867
phenyl 5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzoate
CID 8765391
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
3-phenylimino-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
CID 1254994
5-methyl-1-[(4-methylsulfonylpiperazin-1-yl)methyl]indole-2,3-dione
CID 18281973
2,7-bis(1,4-oxazepan-4-ylsulfonyl)anthracene-9,10-dione
CID 46851999

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione?
The IUPAC name of 5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione (CID 3283445) is 5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione is O=C1C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione?
The InChIKey is VXMXOIQJAFCBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c28-22-20-16-19(33(30,31)26-12-14-32-15-13-26)6-7-21(20)27(23(22)29)17-24-8-10-25(11-9-24)18-4-2-1-3-5-18/h1-7,16H,8-15,17H2.
What are the key properties of 5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione?
5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione has a molecular weight of 470.55 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 3283445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).