3-(difluoromethyl)-1-(4-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine

C20H20F3N3O2S — CID 118654357

IUPAC3-(difluoromethyl)-1-(4-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine
SMILESO=S(=O)(c1ccc(F)cc1)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21
InChIInChI=1S/C20H20F3N3O2S/c21-13-4-6-15(7-5-13)29(27,28)26-12-16(20(22)23)19-17(2-1-3-18(19)26)25-14-8-10-24-11-9-14/h1-7,12,14,20,24-25H,8-11H2
InChIKeyILIPIPRFVQGUKI-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.12
Rot. Bonds5

About 3-(difluoromethyl)-1-(4-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine

3-(difluoromethyl)-1-(4-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine (PubChem CID 118654357) has the molecular formula C20H20F3N3O2S and a molecular weight of 423.46 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(4-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(4-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine
PubChem CID118654357
Molecular FormulaC20H20F3N3O2S
Molecular Weight423.46 g/mol
Exact Mass423.12
IUPAC Name3-(difluoromethyl)-1-(4-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine
SMILESO=S(=O)(c1ccc(F)cc1)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21
InChIInChI=1S/C20H20F3N3O2S/c21-13-4-6-15(7-5-13)29(27,28)26-12-16(20(22)23)19-17(2-1-3-18(19)26)25-14-8-10-24-11-9-14/h1-7,12,14,20,24-25H,8-11H2
InChIKeyILIPIPRFVQGUKI-UHFFFAOYSA-N
XLogP4.12
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(4-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine?
The IUPAC name of 3-(difluoromethyl)-1-(4-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine (CID 118654357) is 3-(difluoromethyl)-1-(4-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-(4-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine?
The canonical SMILES for 3-(difluoromethyl)-1-(4-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine is O=S(=O)(c1ccc(F)cc1)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21.
What is the InChIKey of 3-(difluoromethyl)-1-(4-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine?
The InChIKey is ILIPIPRFVQGUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2S/c21-13-4-6-15(7-5-13)29(27,28)26-12-16(20(22)23)19-17(2-1-3-18(19)26)25-14-8-10-24-11-9-14/h1-7,12,14,20,24-25H,8-11H2.
What are the key properties of 3-(difluoromethyl)-1-(4-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine?
3-(difluoromethyl)-1-(4-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine has a molecular weight of 423.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(4-fluorophenyl)sulfonyl-N-piperidin-4-ylindol-4-amine is sourced from PubChem (CID 118654357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).