7-[3-(3,6-dihydro-2H-pyridin-1-id-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline

C23H21F3N3O2S- — CID 143531280

IUPAC7-[3-(3,6-dihydro-2H-pyridin-1-id-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESO=S(=O)(c1ccc2c(c1)NCCC2)n1cc(C2=CC[N-]CC2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C23H21F3N3O2S/c24-23(25,26)17-4-6-22-19(12-17)20(15-7-10-27-11-8-15)14-29(22)32(30,31)18-5-3-16-2-1-9-28-21(16)13-18/h3-7,12-14,28H,1-2,8-11H2/q-1
InChIKeyODTRJTGFNIUSEV-UHFFFAOYSA-N
MW460.50 g/mol
LogP5.42
Rot. Bonds3

About 7-[3-(3,6-dihydro-2H-pyridin-1-id-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline

7-[3-(3,6-dihydro-2H-pyridin-1-id-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline (PubChem CID 143531280) has the molecular formula C23H21F3N3O2S- and a molecular weight of 460.50 g/mol. Its IUPAC name is 7-[3-(3,6-dihydro-2H-pyridin-1-id-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-[3-(3,6-dihydro-2H-pyridin-1-id-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
PubChem CID143531280
Molecular FormulaC23H21F3N3O2S-
Molecular Weight460.50 g/mol
Exact Mass460.13
IUPAC Name7-[3-(3,6-dihydro-2H-pyridin-1-id-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESO=S(=O)(c1ccc2c(c1)NCCC2)n1cc(C2=CC[N-]CC2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C23H21F3N3O2S/c24-23(25,26)17-4-6-22-19(12-17)20(15-7-10-27-11-8-15)14-29(22)32(30,31)18-5-3-16-2-1-9-28-21(16)13-18/h3-7,12-14,28H,1-2,8-11H2/q-1
InChIKeyODTRJTGFNIUSEV-UHFFFAOYSA-N
XLogP5.42
TPSA65.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.50
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
pyrrolidinylindole, (R)-5b
CID 11351089
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
1-(p-Toluenesulfonyl)tryptamine
CID 14571158
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methylphenyl)benzene-1-sulfonamide
CID 24825381
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzene-1-sulfonamide
CID 24825382

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3,6-dihydro-2H-pyridin-1-id-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-[3-(3,6-dihydro-2H-pyridin-1-id-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline (CID 143531280) is 7-[3-(3,6-dihydro-2H-pyridin-1-id-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-[3-(3,6-dihydro-2H-pyridin-1-id-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-[3-(3,6-dihydro-2H-pyridin-1-id-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline is O=S(=O)(c1ccc2c(c1)NCCC2)n1cc(C2=CC[N-]CC2)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 7-[3-(3,6-dihydro-2H-pyridin-1-id-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is ODTRJTGFNIUSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N3O2S/c24-23(25,26)17-4-6-22-19(12-17)20(15-7-10-27-11-8-15)14-29(22)32(30,31)18-5-3-16-2-1-9-28-21(16)13-18/h3-7,12-14,28H,1-2,8-11H2/q-1.
What are the key properties of 7-[3-(3,6-dihydro-2H-pyridin-1-id-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
7-[3-(3,6-dihydro-2H-pyridin-1-id-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 460.50 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3,6-dihydro-2H-pyridin-1-id-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 143531280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).