3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole

C20H21FN2O2S — CID 113087249

IUPAC3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole
SMILESCn1cc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C20H21FN2O2S/c1-22-14-19(18-4-2-3-5-20(18)22)15-10-12-23(13-11-15)26(24,25)17-8-6-16(21)7-9-17/h2-9,14-15H,10-13H2,1H3
InChIKeyNSOZORRXYYVJEX-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.89
Rot. Bonds3

About 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole

3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole (PubChem CID 113087249) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole
PubChem CID113087249
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole
SMILESCn1cc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C20H21FN2O2S/c1-22-14-19(18-4-2-3-5-20(18)22)15-10-12-23(13-11-15)26(24,25)17-8-6-16(21)7-9-17/h2-9,14-15H,10-13H2,1H3
InChIKeyNSOZORRXYYVJEX-UHFFFAOYSA-N
XLogP3.89
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole
CID 113087267
methyl 2-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]phenyl]acetate
CID 170984965
cyclopropyl-[4-[5-[(4-fluorophenyl)sulfonylmethyl]-1-methylindol-3-yl]piperidin-1-yl]methanone
CID 161305463
1-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidine
CID 23028687
[3,5-bis(trifluoromethyl)phenyl]-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 46103714
N-cyclopropyl-4-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 113087241
2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine
CID 95844720
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 17430356
4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine
CID 58610231
1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole
CID 58017354
1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine
CID 7175888
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole?
The IUPAC name of 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole (CID 113087249) is 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole.
What is the SMILES notation for 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole?
The canonical SMILES for 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole is Cn1cc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccccc21.
What is the InChIKey of 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole?
The InChIKey is NSOZORRXYYVJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-22-14-19(18-4-2-3-5-20(18)22)15-10-12-23(13-11-15)26(24,25)17-8-6-16(21)7-9-17/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole?
3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole has a molecular weight of 372.47 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-methylindole is sourced from PubChem (CID 113087249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).