2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol

C13H20FN3O3S — CID 63288121

IUPAC2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol
SMILESNCc1cc(S(=O)(=O)N2CCN(CCO)CC2)ccc1F
InChIInChI=1S/C13H20FN3O3S/c14-13-2-1-12(9-11(13)10-15)21(19,20)17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8,10,15H2
InChIKeyHGVPDHSNSGDTIH-UHFFFAOYSA-N
MW317.39 g/mol
LogP-0.42
Rot. Bonds5

About 2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol

2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol (PubChem CID 63288121) has the molecular formula C13H20FN3O3S and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol
PubChem CID63288121
Molecular FormulaC13H20FN3O3S
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC Name2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol
SMILESNCc1cc(S(=O)(=O)N2CCN(CCO)CC2)ccc1F
InChIInChI=1S/C13H20FN3O3S/c14-13-2-1-12(9-11(13)10-15)21(19,20)17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8,10,15H2
InChIKeyHGVPDHSNSGDTIH-UHFFFAOYSA-N
XLogP-0.42
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-amino-4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501311
[2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine
CID 28716722
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanamine
CID 28716694
2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63310097
2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501281
1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol
CID 63288683
2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227335
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43392116
[2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
CID 63623393
1-(2-chloroethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 63397139
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine
CID 104958532
2-[4-(5-amino-2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 107212399

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol (CID 63288121) is 2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol is NCc1cc(S(=O)(=O)N2CCN(CCO)CC2)ccc1F.
What is the InChIKey of 2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol?
The InChIKey is HGVPDHSNSGDTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3S/c14-13-2-1-12(9-11(13)10-15)21(19,20)17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8,10,15H2.
What are the key properties of 2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol?
2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol has a molecular weight of 317.39 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 63288121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).