1-(2-fluorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide

C22H24FN3O3S — CID 2578788

IUPAC1-(2-fluorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H24FN3O3S/c23-19-6-2-4-8-21(19)30(28,29)26-13-10-16(11-14-26)22(27)24-12-9-17-15-25-20-7-3-1-5-18(17)20/h1-8,15-16,25H,9-14H2,(H,24,27)
InChIKeyRKEVNGQHGHWKJG-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.07
Rot. Bonds6

About 1-(2-fluorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide

1-(2-fluorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 2578788) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID2578788
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H24FN3O3S/c23-19-6-2-4-8-21(19)30(28,29)26-13-10-16(11-14-26)22(27)24-12-9-17-15-25-20-7-3-1-5-18(17)20/h1-8,15-16,25H,9-14H2,(H,24,27)
InChIKeyRKEVNGQHGHWKJG-UHFFFAOYSA-N
XLogP3.07
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide (CID 2578788) is 1-(2-fluorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is RKEVNGQHGHWKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c23-19-6-2-4-8-21(19)30(28,29)26-13-10-16(11-14-26)22(27)24-12-9-17-15-25-20-7-3-1-5-18(17)20/h1-8,15-16,25H,9-14H2,(H,24,27).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 2578788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).