2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole

C19H15N3O2S — CID 70341361

IUPAC2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole
SMILESCS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2cncnc2)cc1
InChIInChI=1S/C19H15N3O2S/c1-25(23,24)15-8-6-13(7-9-15)19-18(14-10-20-12-21-11-14)16-4-2-3-5-17(16)22-19/h2-12,22H,1H3
InChIKeyUEZWGFFAUKQQEL-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.70
Rot. Bonds3

About 2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole

2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole (PubChem CID 70341361) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole
PubChem CID70341361
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole
SMILESCS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2cncnc2)cc1
InChIInChI=1S/C19H15N3O2S/c1-25(23,24)15-8-6-13(7-9-15)19-18(14-10-20-12-21-11-14)16-4-2-3-5-17(16)22-19/h2-12,22H,1H3
InChIKeyUEZWGFFAUKQQEL-UHFFFAOYSA-N
XLogP3.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-bromophenyl)-1H-indol-2-yl]benzenesulfonamide
CID 10365186
3-(4-methylsulfonylphenyl)-1H-indazole
CID 72895811
2-[(E)-[2-(4-methylsulfonylphenyl)-1H-indol-3-yl]methylideneamino]guanidine
CID 155811139
2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
3-(4-tert-butylphenyl)-2-phenyl-1H-indole
CID 12065981
[4-[5-chloro-3-(4-methylsulfonylphenyl)-1H-indol-2-yl]phenyl] acetate
CID 22285774
1-[4-(4-methylsulfonylphenyl)phenyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 176780707
N,N-bis(4-methylsulfonylphenyl)pyrimidin-5-amine
CID 19434385
4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859
4-(4-methylsulfonylphenyl)-1H-indole
CID 50973001
3-methyl-2-(4-nitrophenyl)-1H-indole
CID 132544245
3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 11596060

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole?
The IUPAC name of 2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole (CID 70341361) is 2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole is CS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2cncnc2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole?
The InChIKey is UEZWGFFAUKQQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-25(23,24)15-8-6-13(7-9-15)19-18(14-10-20-12-21-11-14)16-4-2-3-5-17(16)22-19/h2-12,22H,1H3.
What are the key properties of 2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole?
2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole has a molecular weight of 349.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-3-pyrimidin-5-yl-1H-indole is sourced from PubChem (CID 70341361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).