2-fluoro-N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylbenzenesulfonamide

C16H25FN2O3S — CID 97243163

IUPAC2-fluoro-N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylbenzenesulfonamide
SMILESCC1CCN(C[C@@H](O)CN(C)S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H25FN2O3S/c1-13-7-9-19(10-8-13)12-14(20)11-18(2)23(21,22)16-6-4-3-5-15(16)17/h3-6,13-14,20H,7-12H2,1-2H3/t14-/m0/s1
InChIKeyGICXDLNLIWQVSC-AWEZNQCLSA-N
MW344.45 g/mol
LogP1.54
Rot. Bonds6

About 2-fluoro-N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylbenzenesulfonamide

2-fluoro-N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylbenzenesulfonamide (PubChem CID 97243163) has the molecular formula C16H25FN2O3S and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-fluoro-N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylbenzenesulfonamide
PubChem CID97243163
Molecular FormulaC16H25FN2O3S
Molecular Weight344.45 g/mol
Exact Mass344.16
IUPAC Name2-fluoro-N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylbenzenesulfonamide
SMILESCC1CCN(C[C@@H](O)CN(C)S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H25FN2O3S/c1-13-7-9-19(10-8-13)12-14(20)11-18(2)23(21,22)16-6-4-3-5-15(16)17/h3-6,13-14,20H,7-12H2,1-2H3/t14-/m0/s1
InChIKeyGICXDLNLIWQVSC-AWEZNQCLSA-N
XLogP1.54
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)sulfonyl]-N-methyl-N-(3-methylbutyl)piperidin-4-amine
CID 6603302
2,5-difluoro-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)benzenesulfonamide
CID 16887602
1-(4-Fluorobenzenesulfonyl)-4-[(4-methylpiperidin-1-YL)methyl]piperidine
CID 46287334
1-(3-Fluorobenzenesulfonyl)-4-[(4-methylpiperidin-1-YL)methyl]piperidine
CID 46287365
1-(2-Fluorobenzenesulfonyl)-4-[(4-methylpiperidin-1-YL)methyl]piperidine
CID 46287367
2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylbenzenesulfonamide
CID 71911386
(5aR,9aS)-8-(4-fluorophenyl)sulfonyl-4-methyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 97511302
(5aR,9aS)-8-(2-fluorophenyl)sulfonyl-4-methyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 97511310
1-(4-Fluorobenzenesulfonyl)-4-[(morpholin-4-YL)methyl]azepane
CID 124072907
2-[4-(2,4-Difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 2493430
2-{4-[(4-Fluorophenyl)sulfonyl]piperazino}-1-ethanol
CID 2380545
4-[1-(4-Fluorophenyl)sulfonylpiperidin-4-yl]-2,6-dimethylmorpholine
CID 2911607

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylbenzenesulfonamide (CID 97243163) is 2-fluoro-N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylbenzenesulfonamide is CC1CCN(C[C@@H](O)CN(C)S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-fluoro-N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylbenzenesulfonamide?
The InChIKey is GICXDLNLIWQVSC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25FN2O3S/c1-13-7-9-19(10-8-13)12-14(20)11-18(2)23(21,22)16-6-4-3-5-15(16)17/h3-6,13-14,20H,7-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-fluoro-N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylbenzenesulfonamide?
2-fluoro-N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylbenzenesulfonamide has a molecular weight of 344.45 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 97243163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).