3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol

C20H24N2O3S — CID 75451922

IUPAC3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol
SMILESO=S(=O)(c1ccc2c(c1)CCN2Cc1cccc(O)c1)N1CCCCC1
InChIInChI=1S/C20H24N2O3S/c23-18-6-4-5-16(13-18)15-21-12-9-17-14-19(7-8-20(17)21)26(24,25)22-10-2-1-3-11-22/h4-8,13-14,23H,1-3,9-12,15H2
InChIKeyXETHNBOBTFSIAS-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.13
Rot. Bonds4

About 3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol

3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol (PubChem CID 75451922) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol
PubChem CID75451922
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol
SMILESO=S(=O)(c1ccc2c(c1)CCN2Cc1cccc(O)c1)N1CCCCC1
InChIInChI=1S/C20H24N2O3S/c23-18-6-4-5-16(13-18)15-21-12-9-17-14-19(7-8-20(17)21)26(24,25)22-10-2-1-3-11-22/h4-8,13-14,23H,1-3,9-12,15H2
InChIKeyXETHNBOBTFSIAS-UHFFFAOYSA-N
XLogP3.13
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetamide
CID 31873783
N,N-dimethyl-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 31875101
1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole
CID 56587286
furan-2-yl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17416161
methyl 4-[(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate
CID 26568720
3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol
CID 53218745
1-[(2,6-dichlorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 36943943
1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26570254
N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 52792200
(E)-3-phenyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 55438489
2-fluoro-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 167990347
ethyl 4-ethyl-2-oxo-6-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 42918921

Frequently Asked Questions

What is the IUPAC name of 3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol?
The IUPAC name of 3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol (CID 75451922) is 3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol.
What is the SMILES notation for 3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol?
The canonical SMILES for 3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol is O=S(=O)(c1ccc2c(c1)CCN2Cc1cccc(O)c1)N1CCCCC1.
What is the InChIKey of 3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol?
The InChIKey is XETHNBOBTFSIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-18-6-4-5-16(13-18)15-21-12-9-17-14-19(7-8-20(17)21)26(24,25)22-10-2-1-3-11-22/h4-8,13-14,23H,1-3,9-12,15H2.
What are the key properties of 3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol?
3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol has a molecular weight of 372.49 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol is sourced from PubChem (CID 75451922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).