[1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol

C33H29N3O6S2 — CID 121485497

IUPAC[1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)n1ccc2cc(C(O)c3cc4cc(N5CCOCC5)ccc4n3S(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C33H29N3O6S2/c37-33(25-11-13-30-24(21-25)15-16-35(30)43(38,39)28-7-3-1-4-8-28)32-23-26-22-27(34-17-19-42-20-18-34)12-14-31(26)36(32)44(40,41)29-9-5-2-6-10-29/h1-16,21-23,33,37H,17-20H2
InChIKeyJMPQRUJAKJUAAG-UHFFFAOYSA-N
MW627.74 g/mol
LogP4.99
Rot. Bonds7

About [1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol

[1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol (PubChem CID 121485497) has the molecular formula C33H29N3O6S2 and a molecular weight of 627.74 g/mol. Its IUPAC name is [1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol
PubChem CID121485497
Molecular FormulaC33H29N3O6S2
Molecular Weight627.74 g/mol
Exact Mass627.15
IUPAC Name[1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol
SMILESO=S(=O)(c1ccccc1)n1ccc2cc(C(O)c3cc4cc(N5CCOCC5)ccc4n3S(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C33H29N3O6S2/c37-33(25-11-13-30-24(21-25)15-16-35(30)43(38,39)28-7-3-1-4-8-28)32-23-26-22-27(34-17-19-42-20-18-34)12-14-31(26)36(32)44(40,41)29-9-5-2-6-10-29/h1-16,21-23,33,37H,17-20H2
InChIKeyJMPQRUJAKJUAAG-UHFFFAOYSA-N
XLogP4.99
TPSA110.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500627.74
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol?
The IUPAC name of [1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol (CID 121485497) is [1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol.
What is the SMILES notation for [1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol?
The canonical SMILES for [1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol is O=S(=O)(c1ccccc1)n1ccc2cc(C(O)c3cc4cc(N5CCOCC5)ccc4n3S(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of [1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol?
The InChIKey is JMPQRUJAKJUAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O6S2/c37-33(25-11-13-30-24(21-25)15-16-35(30)43(38,39)28-7-3-1-4-8-28)32-23-26-22-27(34-17-19-42-20-18-34)12-14-31(26)36(32)44(40,41)29-9-5-2-6-10-29/h1-16,21-23,33,37H,17-20H2.
What are the key properties of [1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol?
[1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol has a molecular weight of 627.74 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol is sourced from PubChem (CID 121485497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).