[1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol

C27H23N3O3S — CID 139603375

IUPAC[1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol
SMILESO=S(=O)(c1ccccc1)n1c(C(O)c2cccnc2)c(CCc2ccccn2)c2ccccc21
InChIInChI=1S/C27H23N3O3S/c31-27(20-9-8-17-28-19-20)26-24(16-15-21-10-6-7-18-29-21)23-13-4-5-14-25(23)30(26)34(32,33)22-11-2-1-3-12-22/h1-14,17-19,27,31H,15-16H2
InChIKeyCOPLLPJTSDJPBZ-UHFFFAOYSA-N
MW469.57 g/mol
LogP4.54
Rot. Bonds7

About [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol

[1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol (PubChem CID 139603375) has the molecular formula C27H23N3O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol
PubChem CID139603375
Molecular FormulaC27H23N3O3S
Molecular Weight469.57 g/mol
Exact Mass469.15
IUPAC Name[1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol
SMILESO=S(=O)(c1ccccc1)n1c(C(O)c2cccnc2)c(CCc2ccccn2)c2ccccc21
InChIInChI=1S/C27H23N3O3S/c31-27(20-9-8-17-28-19-20)26-24(16-15-21-10-6-7-18-29-21)23-13-4-5-14-25(23)30(26)34(32,33)22-11-2-1-3-12-22/h1-14,17-19,27,31H,15-16H2
InChIKeyCOPLLPJTSDJPBZ-UHFFFAOYSA-N
XLogP4.54
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-4-ylmethanol
CID 139603379
methyl 1-(benzenesulfonyl)-2-[hydroxy(pyridin-2-yl)methyl]indole-3-carboxylate
CID 59030368
[3-[2-(dibenzylamino)ethyl]-1-(4-methylphenyl)sulfonylindol-2-yl]-quinolin-4-ylmethanol
CID 139603380
(S)-pyridin-2-yl(pyridin-3-yl)methanol
CID 86315351
2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine
CID 175749757
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
2-[hydroxy(pyridin-3-yl)methyl]-1-methylquinolin-4-one
CID 15733015
1-(benzenesulfonyl)-2,3-bis(chloromethyl)indole
CID 10428188
1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole
CID 2754453
N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 60548735
2-(2-pyridin-3-ylbutyl)pyridine
CID 123892989
3-pyridin-2-yl-N-pyridin-3-ylpropanamide
CID 47468155

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol?
The IUPAC name of [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol (CID 139603375) is [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol is O=S(=O)(c1ccccc1)n1c(C(O)c2cccnc2)c(CCc2ccccn2)c2ccccc21.
What is the InChIKey of [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol?
The InChIKey is COPLLPJTSDJPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3S/c31-27(20-9-8-17-28-19-20)26-24(16-15-21-10-6-7-18-29-21)23-13-4-5-14-25(23)30(26)34(32,33)22-11-2-1-3-12-22/h1-14,17-19,27,31H,15-16H2.
What are the key properties of [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol?
[1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol has a molecular weight of 469.57 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 139603375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).