(2R,4R)-4-fluoro-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine

C19H30FNO2S — CID 25058584

IUPAC(2R,4R)-4-fluoro-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCCCCCCC[C@@H]1C[C@H](F)CCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H30FNO2S/c1-3-4-5-6-7-8-18-15-17(20)13-14-21(18)24(22,23)19-11-9-16(2)10-12-19/h9-12,17-18H,3-8,13-15H2,1-2H3/t17-,18-/m1/s1
InChIKeyMVTQDNXOXNDQQB-QZTJIDSGSA-N
MW355.52 g/mol
LogP4.85
Rot. Bonds8

About (2R,4R)-4-fluoro-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine

(2R,4R)-4-fluoro-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 25058584) has the molecular formula C19H30FNO2S and a molecular weight of 355.52 g/mol. Its IUPAC name is (2R,4R)-4-fluoro-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name(2R,4R)-4-fluoro-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID25058584
Molecular FormulaC19H30FNO2S
Molecular Weight355.52 g/mol
Exact Mass355.20
IUPAC Name(2R,4R)-4-fluoro-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine
SMILESCCCCCCC[C@@H]1C[C@H](F)CCN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H30FNO2S/c1-3-4-5-6-7-8-18-15-17(20)13-14-21(18)24(22,23)19-11-9-16(2)10-12-19/h9-12,17-18H,3-8,13-15H2,1-2H3/t17-,18-/m1/s1
InChIKeyMVTQDNXOXNDQQB-QZTJIDSGSA-N
XLogP4.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
p-Toluenesulfonamide, N,N-diethyl-
CID 69539
N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
1-Methyl-4-(para-tolylsulfonyl)-piperazine
CID 269717
1-Benzene sulfonyl-cis-2,6-dimethyl piperidine
CID 726586
1'-((4-Methylphenyl)sulfonyl)spiro(1H-indene-1,4'-piperidine)
CID 9797987
SB-258741
CID 9863250
6-[(4-Methylphenyl)sulfonyl]-6-azabicyclo[3.2.1]octane
CID 613677
4-Methyl-1-(phenylsulfonyl)piperidine
CID 761422
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
50487-72-4
CID 351447

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-fluoro-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of (2R,4R)-4-fluoro-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine (CID 25058584) is (2R,4R)-4-fluoro-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for (2R,4R)-4-fluoro-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for (2R,4R)-4-fluoro-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine is CCCCCCC[C@@H]1C[C@H](F)CCN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2R,4R)-4-fluoro-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is MVTQDNXOXNDQQB-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H30FNO2S/c1-3-4-5-6-7-8-18-15-17(20)13-14-21(18)24(22,23)19-11-9-16(2)10-12-19/h9-12,17-18H,3-8,13-15H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of (2R,4R)-4-fluoro-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine?
(2R,4R)-4-fluoro-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 355.52 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-fluoro-2-heptyl-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 25058584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).