1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol

C16H24FN3O3S — CID 110097934

IUPAC1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol
SMILESCN1CCN(CC2(O)CCN(S(=O)(=O)c3ccccc3F)C2)CC1
InChIInChI=1S/C16H24FN3O3S/c1-18-8-10-19(11-9-18)12-16(21)6-7-20(13-16)24(22,23)15-5-3-2-4-14(15)17/h2-5,21H,6-13H2,1H3
InChIKeyXBNYADWHGDZDDA-UHFFFAOYSA-N
MW357.45 g/mol
LogP0.20
Rot. Bonds4

About 1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol

1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol (PubChem CID 110097934) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol
PubChem CID110097934
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC Name1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol
SMILESCN1CCN(CC2(O)CCN(S(=O)(=O)c3ccccc3F)C2)CC1
InChIInChI=1S/C16H24FN3O3S/c1-18-8-10-19(11-9-18)12-16(21)6-7-20(13-16)24(22,23)15-5-3-2-4-14(15)17/h2-5,21H,6-13H2,1H3
InChIKeyXBNYADWHGDZDDA-UHFFFAOYSA-N
XLogP0.20
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide
CID 124975025
(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol
CID 124978908
4-(2-fluorophenyl)sulfonyl-1,2,2-trimethylpiperazine
CID 63634158
1-(2-fluorophenyl)sulfonyl-4-pentylpiperazine
CID 45369127
2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 124962263
1'-(2-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177186
1-(2-fluorophenyl)sulfonyl-4-(3-methylbutyl)piperazine;hydrochloride
CID 163331835
2-fluoro-6-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 103871431
(4-fluorophenyl)-[(3R)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 125003041
3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane
CID 62866197
1-[(2-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 8749281
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide
CID 175652197

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol (CID 110097934) is 1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol is CN1CCN(CC2(O)CCN(S(=O)(=O)c3ccccc3F)C2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol?
The InChIKey is XBNYADWHGDZDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c1-18-8-10-19(11-9-18)12-16(21)6-7-20(13-16)24(22,23)15-5-3-2-4-14(15)17/h2-5,21H,6-13H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol?
1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol has a molecular weight of 357.45 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 110097934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).