N-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine

C20H22FN3O2S — CID 15950371

IUPACN-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2cccc(S(=O)(=O)n3ccc4cc(F)ccc43)c2)CC1
InChIInChI=1S/C20H22FN3O2S/c1-23-10-8-17(9-11-23)22-18-3-2-4-19(14-18)27(25,26)24-12-7-15-13-16(21)5-6-20(15)24/h2-7,12-14,17,22H,8-11H2,1H3
InChIKeyUYNSMUSRWIBFPG-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.52
Rot. Bonds4

About N-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine

N-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine (PubChem CID 15950371) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
PubChem CID15950371
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC NameN-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2cccc(S(=O)(=O)n3ccc4cc(F)ccc43)c2)CC1
InChIInChI=1S/C20H22FN3O2S/c1-23-10-8-17(9-11-23)22-18-3-2-4-19(14-18)27(25,26)24-12-7-15-13-16(21)5-6-20(15)24/h2-7,12-14,17,22H,8-11H2,1H3
InChIKeyUYNSMUSRWIBFPG-UHFFFAOYSA-N
XLogP3.52
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine (CID 15950371) is N-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine is CN1CCC(Nc2cccc(S(=O)(=O)n3ccc4cc(F)ccc43)c2)CC1.
What is the InChIKey of N-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
The InChIKey is UYNSMUSRWIBFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c1-23-10-8-17(9-11-23)22-18-3-2-4-19(14-18)27(25,26)24-12-7-15-13-16(21)5-6-20(15)24/h2-7,12-14,17,22H,8-11H2,1H3.
What are the key properties of N-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine?
N-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine has a molecular weight of 387.48 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoroindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 15950371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).