[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol

C23H21NO5S — CID 10916853

IUPAC[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc3cc(OC)ccc3n2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO5S/c1-28-18-10-8-16(9-11-18)23(25)22-15-17-14-19(29-2)12-13-21(17)24(22)30(26,27)20-6-4-3-5-7-20/h3-15,23,25H,1-2H3
InChIKeyHPTLKTLCCZRXJT-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.98
Rot. Bonds6

About [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol

[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol (PubChem CID 10916853) has the molecular formula C23H21NO5S and a molecular weight of 423.49 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol
PubChem CID10916853
Molecular FormulaC23H21NO5S
Molecular Weight423.49 g/mol
Exact Mass423.11
IUPAC Name[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc3cc(OC)ccc3n2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO5S/c1-28-18-10-8-16(9-11-18)23(25)22-15-17-14-19(29-2)12-13-21(17)24(22)30(26,27)20-6-4-3-5-7-20/h3-15,23,25H,1-2H3
InChIKeyHPTLKTLCCZRXJT-UHFFFAOYSA-N
XLogP3.98
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol
CID 10603182
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(3-phenylmethoxyphenyl)methanol
CID 11081611
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone
CID 11730089
1-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-4,4-dimethoxycyclohexa-2,5-dien-1-ol
CID 11247697
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,3-dimethoxyphenyl)methanone
CID 10863318
[1-(benzenesulfonyl)-5-methoxypyrrolo[2,3-b]pyridin-2-yl]-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]methanol
CID 67229413
[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]phenyl]-(3,5-dimethoxyphenyl)methanol
CID 56646386
[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone
CID 10929155
1-(benzenesulfonyl)-2-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5-methoxyindole
CID 102188056
[1-(benzenesulfonyl)indol-5-yl]-[1-(benzenesulfonyl)-5-morpholin-4-ylindol-2-yl]methanol
CID 121485497

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol?
The IUPAC name of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol (CID 10916853) is [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol?
The canonical SMILES for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol is COc1ccc(C(O)c2cc3cc(OC)ccc3n2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol?
The InChIKey is HPTLKTLCCZRXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5S/c1-28-18-10-8-16(9-11-18)23(25)22-15-17-14-19(29-2)12-13-21(17)24(22)30(26,27)20-6-4-3-5-7-20/h3-15,23,25H,1-2H3.
What are the key properties of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol?
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol has a molecular weight of 423.49 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 10916853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).