5-(6-fluoro-1H-indol-3-yl)-2-piperazin-1-ylsulfonylphenol

C18H18FN3O3S — CID 126574646

IUPAC5-(6-fluoro-1H-indol-3-yl)-2-piperazin-1-ylsulfonylphenol
SMILESO=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cc1O)N1CCNCC1
InChIInChI=1S/C18H18FN3O3S/c19-13-2-3-14-15(11-21-16(14)10-13)12-1-4-18(17(23)9-12)26(24,25)22-7-5-20-6-8-22/h1-4,9-11,20-21,23H,5-8H2
InChIKeyBAJVMZGPYPUFKM-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.27
Rot. Bonds3

About 5-(6-fluoro-1H-indol-3-yl)-2-piperazin-1-ylsulfonylphenol

5-(6-fluoro-1H-indol-3-yl)-2-piperazin-1-ylsulfonylphenol (PubChem CID 126574646) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-(6-fluoro-1H-indol-3-yl)-2-piperazin-1-ylsulfonylphenol.

Molecular Properties

Compound Name5-(6-fluoro-1H-indol-3-yl)-2-piperazin-1-ylsulfonylphenol
PubChem CID126574646
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name5-(6-fluoro-1H-indol-3-yl)-2-piperazin-1-ylsulfonylphenol
SMILESO=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cc1O)N1CCNCC1
InChIInChI=1S/C18H18FN3O3S/c19-13-2-3-14-15(11-21-16(14)10-13)12-1-4-18(17(23)9-12)26(24,25)22-7-5-20-6-8-22/h1-4,9-11,20-21,23H,5-8H2
InChIKeyBAJVMZGPYPUFKM-UHFFFAOYSA-N
XLogP2.27
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Roxindole
CID 219050
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 681823
3-[4-(4-Phenyl-piperidin-1-yl)-butyl]-1H-indol-5-ol
CID 44396396
3-[4-(4-Phenyl-piperazin-1-yl)-butyl]-1H-indol-5-ol
CID 44396416
(3-piperidin-4-yl-1H-indol-5-yl) 2,6-difluorobenzenesulfonate
CID 44398570
[3-[(2R)-2-[[(2R)-2-hydroxy-2-[4-(phenylsulfamoyl)phenyl]ethyl]amino]propyl]-1H-indol-7-yl] methanesulfonate
CID 76315638
1-Benzenesulfonyl-3-(2-dimethylamino-ethyl)-1H-indol-5-ol
CID 9841077
3-[1,2,3,6-Tetrahydro-1-(phenylmethyl)-4-pyridinyl]-1H-indol-5-ol
CID 9926502
4-(3-(4-hydroxyphenyl)-1H-indol-2-yl)benzenesulfonamide
CID 22285782
N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methoxy-1H-indole-2-sulfonamide
CID 66546152
3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenol
CID 131999484
3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]phenol;hydrate
CID 44522742

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1H-indol-3-yl)-2-piperazin-1-ylsulfonylphenol?
The IUPAC name of 5-(6-fluoro-1H-indol-3-yl)-2-piperazin-1-ylsulfonylphenol (CID 126574646) is 5-(6-fluoro-1H-indol-3-yl)-2-piperazin-1-ylsulfonylphenol.
What is the SMILES notation for 5-(6-fluoro-1H-indol-3-yl)-2-piperazin-1-ylsulfonylphenol?
The canonical SMILES for 5-(6-fluoro-1H-indol-3-yl)-2-piperazin-1-ylsulfonylphenol is O=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cc1O)N1CCNCC1.
What is the InChIKey of 5-(6-fluoro-1H-indol-3-yl)-2-piperazin-1-ylsulfonylphenol?
The InChIKey is BAJVMZGPYPUFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c19-13-2-3-14-15(11-21-16(14)10-13)12-1-4-18(17(23)9-12)26(24,25)22-7-5-20-6-8-22/h1-4,9-11,20-21,23H,5-8H2.
What are the key properties of 5-(6-fluoro-1H-indol-3-yl)-2-piperazin-1-ylsulfonylphenol?
5-(6-fluoro-1H-indol-3-yl)-2-piperazin-1-ylsulfonylphenol has a molecular weight of 375.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1H-indol-3-yl)-2-piperazin-1-ylsulfonylphenol is sourced from PubChem (CID 126574646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).