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

C26H30N2O2S — CID 20867218

IUPAC3-[1-(4-cyclohexylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C26H30N2O2S/c1-19-26(24-9-5-6-10-25(24)27-19)22-15-17-28(18-16-22)31(29,30)23-13-11-21(12-14-23)20-7-3-2-4-8-20/h5-6,9-15,20,27H,2-4,7-8,16-18H2,1H3
InChIKeyZJEIBJVQIYKEBE-UHFFFAOYSA-N
MW434.61 g/mol
LogP6.00
Rot. Bonds4

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

3-[1-(4-cyclohexylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole (PubChem CID 20867218) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is 3-[1-(4-cyclohexylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[1-(4-cyclohexylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
PubChem CID20867218
Molecular FormulaC26H30N2O2S
Molecular Weight434.61 g/mol
Exact Mass434.20
IUPAC Name3-[1-(4-cyclohexylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C26H30N2O2S/c1-19-26(24-9-5-6-10-25(24)27-19)22-15-17-28(18-16-22)31(29,30)23-13-11-21(12-14-23)20-7-3-2-4-8-20/h5-6,9-15,20,27H,2-4,7-8,16-18H2,1H3
InChIKeyZJEIBJVQIYKEBE-UHFFFAOYSA-N
XLogP6.00
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 20867201
3-[1-(4-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 20867214
3-[1-(4-ethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 113086831
3-[1-(3,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 113086828
3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 20867231
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
3-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole
CID 113087336
2-methyl-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
CID 113086652
ethyl 4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 6622349
1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 60568104
2-(4-chlorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113086810
3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086699

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-cyclohexylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole?
The IUPAC name of 3-[1-(4-cyclohexylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole (CID 20867218) is 3-[1-(4-cyclohexylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[1-(4-cyclohexylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole?
The canonical SMILES for 3-[1-(4-cyclohexylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 3-[1-(4-cyclohexylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole?
The InChIKey is ZJEIBJVQIYKEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2S/c1-19-26(24-9-5-6-10-25(24)27-19)22-15-17-28(18-16-22)31(29,30)23-13-11-21(12-14-23)20-7-3-2-4-8-20/h5-6,9-15,20,27H,2-4,7-8,16-18H2,1H3.
What are the key properties of 3-[1-(4-cyclohexylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole?
3-[1-(4-cyclohexylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole has a molecular weight of 434.61 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-cyclohexylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole is sourced from PubChem (CID 20867218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).