5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

C14H15BrN2O2S — CID 84569970

IUPAC5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCS(=O)(=O)N1CC=C(c2c[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C14H15BrN2O2S/c1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
InChIKeyHOQHTFWGIXFSRH-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.98
Rot. Bonds2

About 5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (PubChem CID 84569970) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
PubChem CID84569970
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCS(=O)(=O)N1CC=C(c2c[nH]c3ccc(Br)cc23)CC1
InChIInChI=1S/C14H15BrN2O2S/c1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
InChIKeyHOQHTFWGIXFSRH-UHFFFAOYSA-N
XLogP2.98
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane
CID 143668199
5-bromo-3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 126455284
1-[4-(5-bromo-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
CID 84560865
7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 123359922
5-fluoro-3-[1-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086924
5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 2763724
3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole
CID 113086926
3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086699
1-[4-(5-bromo-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-phenoxyethanone
CID 84559821
3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086680
(E)-1-[4-(5-bromo-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 84558654
3-[1-(5-ethylthiophen-2-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole
CID 113086935

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The IUPAC name of 5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (CID 84569970) is 5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The canonical SMILES for 5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is CS(=O)(=O)N1CC=C(c2c[nH]c3ccc(Br)cc23)CC1.
What is the InChIKey of 5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The InChIKey is HOQHTFWGIXFSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3.
What are the key properties of 5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole has a molecular weight of 355.26 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is sourced from PubChem (CID 84569970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).