[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol

C30H24N2O6S2 — CID 10603182

IUPAC[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol
SMILESCOc1ccc2c(c1)cc(C(O)c1cc3ccccc3n1S(=O)(=O)c1ccccc1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H24N2O6S2/c1-38-23-16-17-27-22(18-23)20-29(32(27)40(36,37)25-13-6-3-7-14-25)30(33)28-19-21-10-8-9-15-26(21)31(28)39(34,35)24-11-4-2-5-12-24/h2-20,30,33H,1H3
InChIKeyWJCDBGQYMUPALV-UHFFFAOYSA-N
MW572.66 g/mol
LogP5.16
Rot. Bonds7

About [1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol

[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol (PubChem CID 10603182) has the molecular formula C30H24N2O6S2 and a molecular weight of 572.66 g/mol. Its IUPAC name is [1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol
PubChem CID10603182
Molecular FormulaC30H24N2O6S2
Molecular Weight572.66 g/mol
Exact Mass572.11
IUPAC Name[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol
SMILESCOc1ccc2c(c1)cc(C(O)c1cc3ccccc3n1S(=O)(=O)c1ccccc1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H24N2O6S2/c1-38-23-16-17-27-22(18-23)20-29(32(27)40(36,37)25-13-6-3-7-14-25)30(33)28-19-21-10-8-9-15-26(21)31(28)39(34,35)24-11-4-2-5-12-24/h2-20,30,33H,1H3
InChIKeyWJCDBGQYMUPALV-UHFFFAOYSA-N
XLogP5.16
TPSA107.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.66
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol with MolForge

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Related Compounds

[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol
CID 10916853
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol
CID 11081611
1-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-4,4-dimethoxycyclohexa-2,5-dien-1-ol
CID 11247697
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone
CID 11730089
[3-[1-(benzenesulfonyl)indol-2-yl]phenyl]-(3,5-dimethoxyphenyl)methanol
CID 56646386
[1-(benzenesulfonyl)indol-2-yl]-[(3E,4R)-3-ethylidene-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 164546961
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,3-dimethoxyphenyl)methanone
CID 10863318
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone
CID 11134025
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone
CID 121485521
3-[1-(benzenesulfonyl)indol-2-yl]prop-2-enoic acid
CID 67045077
1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole
CID 14615864
[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone
CID 10929155

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol?
The IUPAC name of [1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol (CID 10603182) is [1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol.
What is the SMILES notation for [1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol?
The canonical SMILES for [1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol is COc1ccc2c(c1)cc(C(O)c1cc3ccccc3n1S(=O)(=O)c1ccccc1)n2S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol?
The InChIKey is WJCDBGQYMUPALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O6S2/c1-38-23-16-17-27-22(18-23)20-29(32(27)40(36,37)25-13-6-3-7-14-25)30(33)28-19-21-10-8-9-15-26(21)31(28)39(34,35)24-11-4-2-5-12-24/h2-20,30,33H,1H3.
What are the key properties of [1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol?
[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol has a molecular weight of 572.66 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol is sourced from PubChem (CID 10603182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).