4-[[1-[2-(dimethylamino)ethyl]-2-piperidin-1-ylsulfonylindol-3-yl]-(4-hydroxyphenyl)methyl]phenol

C30H35N3O4S — CID 67595576

IUPAC4-[[1-[2-(dimethylamino)ethyl]-2-piperidin-1-ylsulfonylindol-3-yl]-(4-hydroxyphenyl)methyl]phenol
SMILESCN(C)CCn1c(S(=O)(=O)N2CCCCC2)c(C(c2ccc(O)cc2)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C30H35N3O4S/c1-31(2)20-21-33-27-9-5-4-8-26(27)29(30(33)38(36,37)32-18-6-3-7-19-32)28(22-10-14-24(34)15-11-22)23-12-16-25(35)17-13-23/h4-5,8-17,28,34-35H,3,6-7,18-21H2,1-2H3
InChIKeyWWYNODMAAMGLAG-UHFFFAOYSA-N
MW533.69 g/mol
LogP4.97
Rot. Bonds8

About 4-[[1-[2-(dimethylamino)ethyl]-2-piperidin-1-ylsulfonylindol-3-yl]-(4-hydroxyphenyl)methyl]phenol

4-[[1-[2-(dimethylamino)ethyl]-2-piperidin-1-ylsulfonylindol-3-yl]-(4-hydroxyphenyl)methyl]phenol (PubChem CID 67595576) has the molecular formula C30H35N3O4S and a molecular weight of 533.69 g/mol. Its IUPAC name is 4-[[1-[2-(dimethylamino)ethyl]-2-piperidin-1-ylsulfonylindol-3-yl]-(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[[1-[2-(dimethylamino)ethyl]-2-piperidin-1-ylsulfonylindol-3-yl]-(4-hydroxyphenyl)methyl]phenol
PubChem CID67595576
Molecular FormulaC30H35N3O4S
Molecular Weight533.69 g/mol
Exact Mass533.23
IUPAC Name4-[[1-[2-(dimethylamino)ethyl]-2-piperidin-1-ylsulfonylindol-3-yl]-(4-hydroxyphenyl)methyl]phenol
SMILESCN(C)CCn1c(S(=O)(=O)N2CCCCC2)c(C(c2ccc(O)cc2)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C30H35N3O4S/c1-31(2)20-21-33-27-9-5-4-8-26(27)29(30(33)38(36,37)32-18-6-3-7-19-32)28(22-10-14-24(34)15-11-22)23-12-16-25(35)17-13-23/h4-5,8-17,28,34-35H,3,6-7,18-21H2,1-2H3
InChIKeyWWYNODMAAMGLAG-UHFFFAOYSA-N
XLogP4.97
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.69
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[1-[2-(dimethylamino)ethyl]-2-piperidin-1-ylsulfonylindol-3-yl]-(4-hydroxyphenyl)methyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[2-(dimethylamino)ethyl]-2-piperidin-1-ylsulfonylindol-3-yl]-(4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-[[1-[2-(dimethylamino)ethyl]-2-piperidin-1-ylsulfonylindol-3-yl]-(4-hydroxyphenyl)methyl]phenol (CID 67595576) is 4-[[1-[2-(dimethylamino)ethyl]-2-piperidin-1-ylsulfonylindol-3-yl]-(4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-[[1-[2-(dimethylamino)ethyl]-2-piperidin-1-ylsulfonylindol-3-yl]-(4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-[[1-[2-(dimethylamino)ethyl]-2-piperidin-1-ylsulfonylindol-3-yl]-(4-hydroxyphenyl)methyl]phenol is CN(C)CCn1c(S(=O)(=O)N2CCCCC2)c(C(c2ccc(O)cc2)c2ccc(O)cc2)c2ccccc21.
What is the InChIKey of 4-[[1-[2-(dimethylamino)ethyl]-2-piperidin-1-ylsulfonylindol-3-yl]-(4-hydroxyphenyl)methyl]phenol?
The InChIKey is WWYNODMAAMGLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O4S/c1-31(2)20-21-33-27-9-5-4-8-26(27)29(30(33)38(36,37)32-18-6-3-7-19-32)28(22-10-14-24(34)15-11-22)23-12-16-25(35)17-13-23/h4-5,8-17,28,34-35H,3,6-7,18-21H2,1-2H3.
What are the key properties of 4-[[1-[2-(dimethylamino)ethyl]-2-piperidin-1-ylsulfonylindol-3-yl]-(4-hydroxyphenyl)methyl]phenol?
4-[[1-[2-(dimethylamino)ethyl]-2-piperidin-1-ylsulfonylindol-3-yl]-(4-hydroxyphenyl)methyl]phenol has a molecular weight of 533.69 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[2-(dimethylamino)ethyl]-2-piperidin-1-ylsulfonylindol-3-yl]-(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 67595576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).