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

C20H20ClF2N3O2S — CID 118654347

IUPAC1-(4-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21
InChIInChI=1S/C20H20ClF2N3O2S/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
InChIKeyIZRNSBXFHLNZDF-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.63
Rot. Bonds5

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

1-(4-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine (PubChem CID 118654347) has the molecular formula C20H20ClF2N3O2S and a molecular weight of 439.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine
PubChem CID118654347
Molecular FormulaC20H20ClF2N3O2S
Molecular Weight439.92 g/mol
Exact Mass439.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine
SMILESO=S(=O)(c1ccc(Cl)cc1)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21
InChIInChI=1S/C20H20ClF2N3O2S/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
InChIKeyIZRNSBXFHLNZDF-UHFFFAOYSA-N
XLogP4.63
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine (CID 118654347) is 1-(4-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine is O=S(=O)(c1ccc(Cl)cc1)n1cc(C(F)F)c2c(NC3CCNCC3)cccc21.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine?
The InChIKey is IZRNSBXFHLNZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF2N3O2S/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 1-(4-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine?
1-(4-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine has a molecular weight of 439.92 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-(difluoromethyl)-N-piperidin-4-ylindol-4-amine is sourced from PubChem (CID 118654347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).