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

C21H22N2O2S — CID 113086680

IUPAC3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c(C)c1
InChIInChI=1S/C21H22N2O2S/c1-15-7-8-21(16(2)13-15)26(24,25)23-11-9-17(10-12-23)19-14-22-20-6-4-3-5-18(19)20/h3-9,13-14,22H,10-12H2,1-2H3
InChIKeyZXOXFGXRWJLEQE-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.26
Rot. Bonds3

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

3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 113086680) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID113086680
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c(C)c1
InChIInChI=1S/C21H22N2O2S/c1-15-7-8-21(16(2)13-15)26(24,25)23-11-9-17(10-12-23)19-14-22-20-6-4-3-5-18(19)20/h3-9,13-14,22H,10-12H2,1-2H3
InChIKeyZXOXFGXRWJLEQE-UHFFFAOYSA-N
XLogP4.26
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 113086680) is 3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is Cc1ccc(S(=O)(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c(C)c1.
What is the InChIKey of 3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is ZXOXFGXRWJLEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-15-7-8-21(16(2)13-15)26(24,25)23-11-9-17(10-12-23)19-14-22-20-6-4-3-5-18(19)20/h3-9,13-14,22H,10-12H2,1-2H3.
What are the key properties of 3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 366.49 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 113086680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).