3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C23H26N2O2S — CID 113086699

IUPAC3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H26N2O2S/c1-23(2,3)18-8-10-19(11-9-18)28(26,27)25-14-12-17(13-15-25)21-16-24-22-7-5-4-6-20(21)22/h4-12,16,24H,13-15H2,1-3H3
InChIKeyMJIDZAFMFRGSJC-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.94
Rot. Bonds3

About 3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 113086699) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID113086699
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H26N2O2S/c1-23(2,3)18-8-10-19(11-9-18)28(26,27)25-14-12-17(13-15-25)21-16-24-22-7-5-4-6-20(21)22/h4-12,16,24H,13-15H2,1-3H3
InChIKeyMJIDZAFMFRGSJC-UHFFFAOYSA-N
XLogP4.94
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086680
3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086693
5-fluoro-3-[1-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086924
3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 31843281
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-amine
CID 116997235
3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole
CID 113086926
2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 20867201
5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 84569970
3-[1-(4-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 20867214
methyl 2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-piperidin-1-ylsulfonylbenzoate
CID 25333476
[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 116997248
3-[1-(3-bromo-4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-6-fluoro-1H-indole
CID 55733538

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 113086699) is 3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is CC(C)(C)c1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is MJIDZAFMFRGSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-23(2,3)18-8-10-19(11-9-18)28(26,27)25-14-12-17(13-15-25)21-16-24-22-7-5-4-6-20(21)22/h4-12,16,24H,13-15H2,1-3H3.
What are the key properties of 3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 394.54 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 113086699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).