4-[5-[2-benzyl-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine

C25H22F3N3O3S — CID 141293441

IUPAC4-[5-[2-benzyl-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine
SMILESO=S(=O)(c1ccc(N2CCOCC2)nc1)n1c(Cc2ccccc2)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C25H22F3N3O3S/c26-25(27,28)20-6-8-23-19(15-20)16-21(14-18-4-2-1-3-5-18)31(23)35(32,33)22-7-9-24(29-17-22)30-10-12-34-13-11-30/h1-9,15-17H,10-14H2
InChIKeyTUDWXUBUTGJRAI-UHFFFAOYSA-N
MW501.53 g/mol
LogP4.72
Rot. Bonds5

About 4-[5-[2-benzyl-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine

4-[5-[2-benzyl-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine (PubChem CID 141293441) has the molecular formula C25H22F3N3O3S and a molecular weight of 501.53 g/mol. Its IUPAC name is 4-[5-[2-benzyl-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[2-benzyl-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine
PubChem CID141293441
Molecular FormulaC25H22F3N3O3S
Molecular Weight501.53 g/mol
Exact Mass501.13
IUPAC Name4-[5-[2-benzyl-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine
SMILESO=S(=O)(c1ccc(N2CCOCC2)nc1)n1c(Cc2ccccc2)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C25H22F3N3O3S/c26-25(27,28)20-6-8-23-19(15-20)16-21(14-18-4-2-1-3-5-18)31(23)35(32,33)22-7-9-24(29-17-22)30-10-12-34-13-11-30/h1-9,15-17H,10-14H2
InChIKeyTUDWXUBUTGJRAI-UHFFFAOYSA-N
XLogP4.72
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Morpholinylsulfonyl)-5-[4-(4-pyridinyl)-6-quinolinyl]-2-pyridinamine
CID 25121268
1-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
CID 90469319
1-(3-Fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
CID 90469381
1-(4-Fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
CID 90469382
N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 2547568
N-((1-(1-(2-(dimethylamino)pyridin-3-ylsulfonyl)-1H-indol-2-ylsulfonyl)piperidin-4-yl)methyl)-1,1,1-trifluoromethanesulfonamide
CID 52942075
4-(3-(1-(phenylsulfonyl)-4-(3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)benzyl)morpholine
CID 53318712
6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-2-ylquinolin-4-amine
CID 134150987
4-[2-(1-Methylindol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
CID 70694178
CID 134805687
CID 134805687
CID 134811365
CID 134811365
4-methyl-N-[1-methyl-3-[2-pyridin-2-yl-5-(trifluoromethyl)phenyl]indol-2-yl]benzenesulfonamide
CID 168330537

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-benzyl-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[2-benzyl-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine (CID 141293441) is 4-[5-[2-benzyl-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[2-benzyl-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[2-benzyl-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine is O=S(=O)(c1ccc(N2CCOCC2)nc1)n1c(Cc2ccccc2)cc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 4-[5-[2-benzyl-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine?
The InChIKey is TUDWXUBUTGJRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O3S/c26-25(27,28)20-6-8-23-19(15-20)16-21(14-18-4-2-1-3-5-18)31(23)35(32,33)22-7-9-24(29-17-22)30-10-12-34-13-11-30/h1-9,15-17H,10-14H2.
What are the key properties of 4-[5-[2-benzyl-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine?
4-[5-[2-benzyl-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine has a molecular weight of 501.53 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-benzyl-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine is sourced from PubChem (CID 141293441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).