2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine

C23H29FN4O3S — CID 141378699

IUPAC2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3ccc(F)cc32)cc1N1CCNCC1
InChIInChI=1S/C23H29FN4O3S/c1-26(2)11-8-17-16-28(21-14-18(24)4-6-20(17)21)32(29,30)19-5-7-23(31-3)22(15-19)27-12-9-25-10-13-27/h4-7,14-16,25H,8-13H2,1-3H3
InChIKeyANKMAAREANHCLC-UHFFFAOYSA-N
MW460.58 g/mol
LogP2.54
Rot. Bonds7

About 2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine

2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine (PubChem CID 141378699) has the molecular formula C23H29FN4O3S and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine
PubChem CID141378699
Molecular FormulaC23H29FN4O3S
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC Name2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3ccc(F)cc32)cc1N1CCNCC1
InChIInChI=1S/C23H29FN4O3S/c1-26(2)11-8-17-16-28(21-14-18(24)4-6-20(17)21)32(29,30)19-5-7-23(31-3)22(15-19)27-12-9-25-10-13-27/h4-7,14-16,25H,8-13H2,1-3H3
InChIKeyANKMAAREANHCLC-UHFFFAOYSA-N
XLogP2.54
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine
CID 141378685
2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine
CID 141378690
2,2,2-trichloro-1-[4-[5-[3-[2-(dimethylamino)ethyl]-5-fluoroindol-1-yl]sulfonyl-2-methoxyphenyl]piperazin-1-yl]ethanone
CID 141378695
2,2,2-trifluoro-1-[4-[5-[6-fluoro-3-(methoxymethyl)indol-1-yl]sulfonyl-2-methoxyphenyl]piperazin-1-yl]ethanone
CID 122506174
4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
CID 118181436
1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole-3-carbonitrile
CID 118181405
1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride
CID 71756588
5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520126
3-(difluoromethyl)-6-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindazole
CID 122520147
6-bromo-3-(difluoromethyl)-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindazole
CID 118181450
3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonyl-6-methylindole
CID 122520140
2,2,2-trichloro-1-[4-[5-[3-(difluoromethyl)-5-fluoroindol-1-yl]sulfonyl-2-methoxyphenyl]piperazin-1-yl]ethanone
CID 122506154

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine (CID 141378699) is 2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine is COc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3ccc(F)cc32)cc1N1CCNCC1.
What is the InChIKey of 2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine?
The InChIKey is ANKMAAREANHCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3S/c1-26(2)11-8-17-16-28(21-14-18(24)4-6-20(17)21)32(29,30)19-5-7-23(31-3)22(15-19)27-12-9-25-10-13-27/h4-7,14-16,25H,8-13H2,1-3H3.
What are the key properties of 2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine?
2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine has a molecular weight of 460.58 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 141378699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).