2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole

C20H21FN2O2S — CID 113088702

IUPAC2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]c(C3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2c1
InChIInChI=1S/C20H21FN2O2S/c1-14-4-9-19-16(11-14)12-20(22-19)15-3-2-10-23(13-15)26(24,25)18-7-5-17(21)6-8-18/h4-9,11-12,15,22H,2-3,10,13H2,1H3
InChIKeyBZIFXKJZORTXCY-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.18
Rot. Bonds3

About 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole

2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole (PubChem CID 113088702) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
PubChem CID113088702
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]c(C3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2c1
InChIInChI=1S/C20H21FN2O2S/c1-14-4-9-19-16(11-14)12-20(22-19)15-3-2-10-23(13-15)26(24,25)18-7-5-17(21)6-8-18/h4-9,11-12,15,22H,2-3,10,13H2,1H3
InChIKeyBZIFXKJZORTXCY-UHFFFAOYSA-N
XLogP4.18
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole
CID 113088701
2-[1-(benzenesulfonyl)piperidin-3-yl]-5-methyl-1H-indole
CID 113088700
5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1H-indole
CID 113088695
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088723
2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole
CID 113088698
2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
CID 113088605
2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-5-methoxy-1H-indole
CID 113088941
N-[4-[(3R)-3-(1H-indol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 51728621
5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113088184
(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088680
6-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 110115095
(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124953145

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole?
The IUPAC name of 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole (CID 113088702) is 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole.
What is the SMILES notation for 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole?
The canonical SMILES for 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole is Cc1ccc2[nH]c(C3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2c1.
What is the InChIKey of 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole?
The InChIKey is BZIFXKJZORTXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-14-4-9-19-16(11-14)12-20(22-19)15-3-2-10-23(13-15)26(24,25)18-7-5-17(21)6-8-18/h4-9,11-12,15,22H,2-3,10,13H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole?
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole has a molecular weight of 372.47 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole is sourced from PubChem (CID 113088702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).