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

C19H20FN3O3S — CID 118181459

IUPAC6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccc(F)cc32)cc1N1CCNCC1
InChIInChI=1S/C19H20FN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-6,9,12-13,21H,7-8,10-11H2,1H3
InChIKeyAHBSEBKNUZAPNT-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.44
Rot. Bonds4

About 6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole

6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole (PubChem CID 118181459) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole.

Molecular Properties

Compound Name6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
PubChem CID118181459
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccc(F)cc32)cc1N1CCNCC1
InChIInChI=1S/C19H20FN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-6,9,12-13,21H,7-8,10-11H2,1H3
InChIKeyAHBSEBKNUZAPNT-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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Related Compounds

6-Bromo-1-(4-methoxy-3-piperazin-1-yl-benzenesulfonyl)-1H-indole
CID 44327759
6-[(2R)-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole
CID 44340836
N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 67341609
5-bromo-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173750
6-bromo-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173755
6-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173771
6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173772
5-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173790
5-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173792
US9663498, Example 31
CID 118181414
US9663498, Example 27
CID 118181437
US9663498, Example 23
CID 118181441

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole?
The IUPAC name of 6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole (CID 118181459) is 6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole.
What is the SMILES notation for 6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole?
The canonical SMILES for 6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole is COc1ccc(S(=O)(=O)n2ccc3ccc(F)cc32)cc1N1CCNCC1.
What is the InChIKey of 6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole?
The InChIKey is AHBSEBKNUZAPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-6,9,12-13,21H,7-8,10-11H2,1H3.
What are the key properties of 6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole?
6-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 6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole is sourced from PubChem (CID 118181459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).