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

C19H20FN3O3S — CID 118181436

IUPAC4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3c(F)cccc32)cc1N1CCNCC1
InChIInChI=1S/C19H20FN3O3S/c1-26-19-6-5-14(13-18(19)22-11-8-21-9-12-22)27(24,25)23-10-7-15-16(20)3-2-4-17(15)23/h2-7,10,13,21H,8-9,11-12H2,1H3
InChIKeyZEWMNRMNMWWOPX-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.44
Rot. Bonds4

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

4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole (PubChem CID 118181436) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole.

Molecular Properties

Compound Name4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
PubChem CID118181436
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3c(F)cccc32)cc1N1CCNCC1
InChIInChI=1S/C19H20FN3O3S/c1-26-19-6-5-14(13-18(19)22-11-8-21-9-12-22)27(24,25)23-10-7-15-16(20)3-2-4-17(15)23/h2-7,10,13,21H,8-9,11-12H2,1H3
InChIKeyZEWMNRMNMWWOPX-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

1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole
CID 10271920
1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole-3-carbonitrile
CID 118181405
7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520130
1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride
CID 10183265
1-[3-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-4-piperazin-1-ylindole
CID 25118559
5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520126
2-[6-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine
CID 141378699
1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine
CID 142181785
1-(4-butoxyphenyl)sulfonyl-4-piperazin-1-ylindole
CID 10161068
2-[1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylindol-3-yl]-N,N-dimethylethanamine
CID 141378690
2-[5-methoxy-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine
CID 141378685
1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride
CID 69051523

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole?
The IUPAC name of 4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole (CID 118181436) is 4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole.
What is the SMILES notation for 4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole?
The canonical SMILES for 4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole is COc1ccc(S(=O)(=O)n2ccc3c(F)cccc32)cc1N1CCNCC1.
What is the InChIKey of 4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole?
The InChIKey is ZEWMNRMNMWWOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-26-19-6-5-14(13-18(19)22-11-8-21-9-12-22)27(24,25)23-10-7-15-16(20)3-2-4-17(15)23/h2-7,10,13,21H,8-9,11-12H2,1H3.
What are the key properties of 4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole?
4-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 4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole is sourced from PubChem (CID 118181436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).