6-(6-chloropyrimidin-4-yl)oxy-1-pyridin-3-ylsulfonylindole

C17H11ClN4O3S — CID 141441836

IUPAC6-(6-chloropyrimidin-4-yl)oxy-1-pyridin-3-ylsulfonylindole
SMILESO=S(=O)(c1cccnc1)n1ccc2ccc(Oc3cc(Cl)ncn3)cc21
InChIInChI=1S/C17H11ClN4O3S/c18-16-9-17(21-11-20-16)25-13-4-3-12-5-7-22(15(12)8-13)26(23,24)14-2-1-6-19-10-14/h1-11H
InChIKeyFDYYZKVJBKTQRA-UHFFFAOYSA-N
MW386.82 g/mol
LogP3.51
Rot. Bonds4

About 6-(6-chloropyrimidin-4-yl)oxy-1-pyridin-3-ylsulfonylindole

6-(6-chloropyrimidin-4-yl)oxy-1-pyridin-3-ylsulfonylindole (PubChem CID 141441836) has the molecular formula C17H11ClN4O3S and a molecular weight of 386.82 g/mol. Its IUPAC name is 6-(6-chloropyrimidin-4-yl)oxy-1-pyridin-3-ylsulfonylindole.

Molecular Properties

Compound Name6-(6-chloropyrimidin-4-yl)oxy-1-pyridin-3-ylsulfonylindole
PubChem CID141441836
Molecular FormulaC17H11ClN4O3S
Molecular Weight386.82 g/mol
Exact Mass386.02
IUPAC Name6-(6-chloropyrimidin-4-yl)oxy-1-pyridin-3-ylsulfonylindole
SMILESO=S(=O)(c1cccnc1)n1ccc2ccc(Oc3cc(Cl)ncn3)cc21
InChIInChI=1S/C17H11ClN4O3S/c18-16-9-17(21-11-20-16)25-13-4-3-12-5-7-22(15(12)8-13)26(23,24)14-2-1-6-19-10-14/h1-11H
InChIKeyFDYYZKVJBKTQRA-UHFFFAOYSA-N
XLogP3.51
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.82
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole
CID 141441934
1-methyl-6-pyridin-3-yloxyindole
CID 118649526
formic acid;6-(4-methyl-1,4-diazepan-1-yl)-1-pyridin-3-ylsulfonylindole
CID 158586511
3-(6-chloropyrimidin-4-yl)oxyaniline
CID 95928501
4-chloro-6-(3-ethoxyphenoxy)pyrimidine
CID 55061243
1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole
CID 71493853
4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole
CID 22015332
4-chloro-6-(4-propan-2-ylphenoxy)pyrimidine
CID 60726025
methyl 1-(benzenesulfonyl)indole-6-carboxylate
CID 54598082
1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine
CID 150655261
2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
CID 175088530
ethane;1-(3-methoxyphenyl)sulfonylindole
CID 157094822

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloropyrimidin-4-yl)oxy-1-pyridin-3-ylsulfonylindole?
The IUPAC name of 6-(6-chloropyrimidin-4-yl)oxy-1-pyridin-3-ylsulfonylindole (CID 141441836) is 6-(6-chloropyrimidin-4-yl)oxy-1-pyridin-3-ylsulfonylindole.
What is the SMILES notation for 6-(6-chloropyrimidin-4-yl)oxy-1-pyridin-3-ylsulfonylindole?
The canonical SMILES for 6-(6-chloropyrimidin-4-yl)oxy-1-pyridin-3-ylsulfonylindole is O=S(=O)(c1cccnc1)n1ccc2ccc(Oc3cc(Cl)ncn3)cc21.
What is the InChIKey of 6-(6-chloropyrimidin-4-yl)oxy-1-pyridin-3-ylsulfonylindole?
The InChIKey is FDYYZKVJBKTQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O3S/c18-16-9-17(21-11-20-16)25-13-4-3-12-5-7-22(15(12)8-13)26(23,24)14-2-1-6-19-10-14/h1-11H.
What are the key properties of 6-(6-chloropyrimidin-4-yl)oxy-1-pyridin-3-ylsulfonylindole?
6-(6-chloropyrimidin-4-yl)oxy-1-pyridin-3-ylsulfonylindole has a molecular weight of 386.82 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloropyrimidin-4-yl)oxy-1-pyridin-3-ylsulfonylindole is sourced from PubChem (CID 141441836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).