2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole

C20H20F2N2O2S — CID 56799944

IUPAC2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole
SMILESO=S(=O)(c1ccc(N2CCC(c3cc4ccccc4[nH]3)CC2)cc1)C(F)F
InChIInChI=1S/C20H20F2N2O2S/c21-20(22)27(25,26)17-7-5-16(6-8-17)24-11-9-14(10-12-24)19-13-15-3-1-2-4-18(15)23-19/h1-8,13-14,20,23H,9-12H2
InChIKeyIBGPRGIXGRLFAX-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.55
Rot. Bonds4

About 2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole

2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole (PubChem CID 56799944) has the molecular formula C20H20F2N2O2S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole
PubChem CID56799944
Molecular FormulaC20H20F2N2O2S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole
SMILESO=S(=O)(c1ccc(N2CCC(c3cc4ccccc4[nH]3)CC2)cc1)C(F)F
InChIInChI=1S/C20H20F2N2O2S/c21-20(22)27(25,26)17-7-5-16(6-8-17)24-11-9-14(10-12-24)19-13-15-3-1-2-4-18(15)23-19/h1-8,13-14,20,23H,9-12H2
InChIKeyIBGPRGIXGRLFAX-UHFFFAOYSA-N
XLogP4.55
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole?
The IUPAC name of 2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole (CID 56799944) is 2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole.
What is the SMILES notation for 2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole?
The canonical SMILES for 2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole is O=S(=O)(c1ccc(N2CCC(c3cc4ccccc4[nH]3)CC2)cc1)C(F)F.
What is the InChIKey of 2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole?
The InChIKey is IBGPRGIXGRLFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2S/c21-20(22)27(25,26)17-7-5-16(6-8-17)24-11-9-14(10-12-24)19-13-15-3-1-2-4-18(15)23-19/h1-8,13-14,20,23H,9-12H2.
What are the key properties of 2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole?
2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole has a molecular weight of 390.46 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole is sourced from PubChem (CID 56799944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).