[1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol

C19H20FN3O3S — CID 126583937

IUPAC[1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol
SMILESO=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cc1)N1CCNCC1CO
InChIInChI=1S/C19H20FN3O3S/c20-14-3-6-17-18(11-22-19(17)9-14)13-1-4-16(5-2-13)27(25,26)23-8-7-21-10-15(23)12-24/h1-6,9,11,15,21-22,24H,7-8,10,12H2
InChIKeyUSVDVLNQDDGINX-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.93
Rot. Bonds4

About [1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol

[1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol (PubChem CID 126583937) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is [1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol
PubChem CID126583937
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name[1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol
SMILESO=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cc1)N1CCNCC1CO
InChIInChI=1S/C19H20FN3O3S/c20-14-3-6-17-18(11-22-19(17)9-14)13-1-4-16(5-2-13)27(25,26)23-8-7-21-10-15(23)12-24/h1-6,9,11,15,21-22,24H,7-8,10,12H2
InChIKeyUSVDVLNQDDGINX-UHFFFAOYSA-N
XLogP1.93
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4S)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 126583952
1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 135285771
5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol
CID 135285794
(2R,3R,4S,5S)-5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol
CID 126584154
1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-ol
CID 126583951
6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
CID 91827423
4-(6-fluoro-1H-indol-3-yl)-N-(3-hydroxy-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 126584259
(3S,4R)-4-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpyrrolidin-3-amine
CID 126584248
1-(2,3-dihydroxypropyl)-4-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-one
CID 135285711
4-(6-fluoro-1H-indol-3-yl)-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 126584383
1-[2-(dimethylamino)ethyl]-4-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-one
CID 126574642
1-[[1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-3-hydroxypiperidin-3-yl]methyl]pyrrolidin-2-one
CID 126574746

Frequently Asked Questions

What is the IUPAC name of [1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol?
The IUPAC name of [1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol (CID 126583937) is [1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol.
What is the SMILES notation for [1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol?
The canonical SMILES for [1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol is O=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cc1)N1CCNCC1CO.
What is the InChIKey of [1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol?
The InChIKey is USVDVLNQDDGINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c20-14-3-6-17-18(11-22-19(17)9-14)13-1-4-16(5-2-13)27(25,26)23-8-7-21-10-15(23)12-24/h1-6,9,11,15,21-22,24H,7-8,10,12H2.
What are the key properties of [1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol?
[1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol has a molecular weight of 389.45 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-yl]methanol is sourced from PubChem (CID 126583937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).