7-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole

C19H20FN3O3S — CID 118181412

IUPAC7-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3cccc(F)c32)cc1N1CCNCC1
InChIInChI=1S/C19H20FN3O3S/c1-26-18-6-5-15(13-17(18)22-11-8-21-9-12-22)27(24,25)23-10-7-14-3-2-4-16(20)19(14)23/h2-7,10,13,21H,8-9,11-12H2,1H3
InChIKeyFHDILDPZVASRQL-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.44
Rot. Bonds4

About 7-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole

7-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole (PubChem CID 118181412) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 7-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole.

Molecular Properties

Compound Name7-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
PubChem CID118181412
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name7-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3cccc(F)c32)cc1N1CCNCC1
InChIInChI=1S/C19H20FN3O3S/c1-26-18-6-5-15(13-17(18)22-11-8-21-9-12-22)27(24,25)23-10-7-14-3-2-4-16(20)19(14)23/h2-7,10,13,21H,8-9,11-12H2,1H3
InChIKeyFHDILDPZVASRQL-UHFFFAOYSA-N
XLogP2.44
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole?
The IUPAC name of 7-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole (CID 118181412) is 7-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole.
What is the SMILES notation for 7-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole?
The canonical SMILES for 7-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole is COc1ccc(S(=O)(=O)n2ccc3cccc(F)c32)cc1N1CCNCC1.
What is the InChIKey of 7-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole?
The InChIKey is FHDILDPZVASRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-26-18-6-5-15(13-17(18)22-11-8-21-9-12-22)27(24,25)23-10-7-14-3-2-4-16(20)19(14)23/h2-7,10,13,21H,8-9,11-12H2,1H3.
What are the key properties of 7-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole?
7-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole has a molecular weight of 389.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole is sourced from PubChem (CID 118181412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).