5-fluoro-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3-methylindole

C21H24FN3O3S — CID 118181419

IUPAC5-fluoro-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3-methylindole
SMILESCOc1ccc(S(=O)(=O)n2cc(C)c3cc(F)ccc32)cc1N1CCN(C)CC1
InChIInChI=1S/C21H24FN3O3S/c1-15-14-25(19-6-4-16(22)12-18(15)19)29(26,27)17-5-7-21(28-3)20(13-17)24-10-8-23(2)9-11-24/h4-7,12-14H,8-11H2,1-3H3
InChIKeyCTPPDUNXUPCBMO-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.09
Rot. Bonds4

About 5-fluoro-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3-methylindole

5-fluoro-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3-methylindole (PubChem CID 118181419) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-fluoro-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3-methylindole.

Molecular Properties

Compound Name5-fluoro-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3-methylindole
PubChem CID118181419
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC Name5-fluoro-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3-methylindole
SMILESCOc1ccc(S(=O)(=O)n2cc(C)c3cc(F)ccc32)cc1N1CCN(C)CC1
InChIInChI=1S/C21H24FN3O3S/c1-15-14-25(19-6-4-16(22)12-18(15)19)29(26,27)17-5-7-21(28-3)20(13-17)24-10-8-23(2)9-11-24/h4-7,12-14H,8-11H2,1-3H3
InChIKeyCTPPDUNXUPCBMO-UHFFFAOYSA-N
XLogP3.09
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3-methylindole with MolForge

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Related Compounds

MS-245
CID 6918542
6-Bromo-1-(4-methoxy-3-piperazin-1-yl-benzenesulfonyl)-1H-indole
CID 44327759
3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonyl-5-methoxyindole
CID 56666540
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3-methylindole?
The IUPAC name of 5-fluoro-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3-methylindole (CID 118181419) is 5-fluoro-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3-methylindole.
What is the SMILES notation for 5-fluoro-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3-methylindole?
The canonical SMILES for 5-fluoro-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3-methylindole is COc1ccc(S(=O)(=O)n2cc(C)c3cc(F)ccc32)cc1N1CCN(C)CC1.
What is the InChIKey of 5-fluoro-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3-methylindole?
The InChIKey is CTPPDUNXUPCBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c1-15-14-25(19-6-4-16(22)12-18(15)19)29(26,27)17-5-7-21(28-3)20(13-17)24-10-8-23(2)9-11-24/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 5-fluoro-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3-methylindole?
5-fluoro-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3-methylindole has a molecular weight of 417.51 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-3-methylindole is sourced from PubChem (CID 118181419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).