[1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-4-ylmethanol

C27H23N3O3S — CID 139603379

IUPAC[1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-4-ylmethanol
SMILESO=S(=O)(c1ccccc1)n1c(C(O)c2ccncc2)c(CCc2ccccn2)c2ccccc21
InChIInChI=1S/C27H23N3O3S/c31-27(20-15-18-28-19-16-20)26-24(14-13-21-8-6-7-17-29-21)23-11-4-5-12-25(23)30(26)34(32,33)22-9-2-1-3-10-22/h1-12,15-19,27,31H,13-14H2
InChIKeyBODIUKGQBJBKMC-UHFFFAOYSA-N
MW469.57 g/mol
LogP4.54
Rot. Bonds7

About [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-4-ylmethanol

[1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-4-ylmethanol (PubChem CID 139603379) 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-4-ylmethanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-4-ylmethanol
PubChem CID139603379
Molecular FormulaC27H23N3O3S
Molecular Weight469.57 g/mol
Exact Mass469.15
IUPAC Name[1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-4-ylmethanol
SMILESO=S(=O)(c1ccccc1)n1c(C(O)c2ccncc2)c(CCc2ccccn2)c2ccccc21
InChIInChI=1S/C27H23N3O3S/c31-27(20-15-18-28-19-16-20)26-24(14-13-21-8-6-7-17-29-21)23-11-4-5-12-25(23)30(26)34(32,33)22-9-2-1-3-10-22/h1-12,15-19,27,31H,13-14H2
InChIKeyBODIUKGQBJBKMC-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

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Related Compounds

[1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-3-ylmethanol
CID 139603375
methyl 1-(benzenesulfonyl)-2-[hydroxy(pyridin-2-yl)methyl]indole-3-carboxylate
CID 59030368
1-(benzenesulfonyl)-2,3-bis(chloromethyl)indole
CID 10428188
1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole
CID 2754453
[1-(benzenesulfonyl)-3-chloroindol-2-yl]-pyridin-4-ylmethanone
CID 67035769
2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine
CID 175749757
1-(benzenesulfonyl)-2-chloro-3-ethylindole
CID 14416105
5-[9-(benzenesulfonyl)-6-pyrido[4,3-b]indol-5-ylcarbazol-3-yl]pyrido[4,3-b]indole;methane
CID 159139937
[1-(benzenesulfonyl)-3,4-diethoxyindol-2-yl]-pyridin-2-ylmethanone
CID 67036009
1-(benzenesulfonyl)-3-iodo-2-methylindole
CID 11538519
N-(2-phenyl-3-pyridin-2-ylpropyl)benzenesulfonamide
CID 110361170
1-(benzenesulfonyl)-2-ethenyl-3-methylindole
CID 53243035

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-4-ylmethanol?
The IUPAC name of [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-4-ylmethanol (CID 139603379) is [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-4-ylmethanol.
What is the SMILES notation for [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-4-ylmethanol?
The canonical SMILES for [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-4-ylmethanol is O=S(=O)(c1ccccc1)n1c(C(O)c2ccncc2)c(CCc2ccccn2)c2ccccc21.
What is the InChIKey of [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-4-ylmethanol?
The InChIKey is BODIUKGQBJBKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3S/c31-27(20-15-18-28-19-16-20)26-24(14-13-21-8-6-7-17-29-21)23-11-4-5-12-25(23)30(26)34(32,33)22-9-2-1-3-10-22/h1-12,15-19,27,31H,13-14H2.
What are the key properties of [1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-4-ylmethanol?
[1-(benzenesulfonyl)-3-(2-pyridin-2-ylethyl)indol-2-yl]-pyridin-4-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-4-ylmethanol is sourced from PubChem (CID 139603379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).