2-[5-chloro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(4-fluorophenyl)sulfonylpropan-2-ol

C18H14ClF4NO3S — CID 11697803

IUPAC2-[5-chloro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(4-fluorophenyl)sulfonylpropan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C18H14ClF4NO3S/c1-17(25,9-28(26,27)12-4-2-11(20)3-5-12)16-7-10-6-14(19)13(18(21,22)23)8-15(10)24-16/h2-8,24-25H,9H2,1H3
InChIKeySXUNQHTVYPLZQT-UHFFFAOYSA-N
MW435.83 g/mol
LogP4.66
Rot. Bonds4

About 2-[5-chloro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(4-fluorophenyl)sulfonylpropan-2-ol

2-[5-chloro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(4-fluorophenyl)sulfonylpropan-2-ol (PubChem CID 11697803) has the molecular formula C18H14ClF4NO3S and a molecular weight of 435.83 g/mol. Its IUPAC name is 2-[5-chloro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(4-fluorophenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name2-[5-chloro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(4-fluorophenyl)sulfonylpropan-2-ol
PubChem CID11697803
Molecular FormulaC18H14ClF4NO3S
Molecular Weight435.83 g/mol
Exact Mass435.03
IUPAC Name2-[5-chloro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(4-fluorophenyl)sulfonylpropan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C18H14ClF4NO3S/c1-17(25,9-28(26,27)12-4-2-11(20)3-5-12)16-7-10-6-14(19)13(18(21,22)23)8-15(10)24-16/h2-8,24-25H,9H2,1H3
InChIKeySXUNQHTVYPLZQT-UHFFFAOYSA-N
XLogP4.66
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.83
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(4-fluorophenyl)sulfonylpropan-2-ol?
The IUPAC name of 2-[5-chloro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(4-fluorophenyl)sulfonylpropan-2-ol (CID 11697803) is 2-[5-chloro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(4-fluorophenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 2-[5-chloro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(4-fluorophenyl)sulfonylpropan-2-ol?
The canonical SMILES for 2-[5-chloro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(4-fluorophenyl)sulfonylpropan-2-ol is CC(O)(CS(=O)(=O)c1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2-[5-chloro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(4-fluorophenyl)sulfonylpropan-2-ol?
The InChIKey is SXUNQHTVYPLZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF4NO3S/c1-17(25,9-28(26,27)12-4-2-11(20)3-5-12)16-7-10-6-14(19)13(18(21,22)23)8-15(10)24-16/h2-8,24-25H,9H2,1H3.
What are the key properties of 2-[5-chloro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(4-fluorophenyl)sulfonylpropan-2-ol?
2-[5-chloro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(4-fluorophenyl)sulfonylpropan-2-ol has a molecular weight of 435.83 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-6-(trifluoromethyl)-1H-indol-2-yl]-1-(4-fluorophenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 11697803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).