(3S)-1-(3-fluoro-5-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)piperidine

C16H20FN3O2S — CID 164641246

IUPAC(3S)-1-(3-fluoro-5-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)piperidine
SMILESCc1cc(F)cc(S(=O)(=O)N2CCC[C@H](n3cc(C)cn3)C2)c1
InChIInChI=1S/C16H20FN3O2S/c1-12-6-14(17)8-16(7-12)23(21,22)19-5-3-4-15(11-19)20-10-13(2)9-18-20/h6-10,15H,3-5,11H2,1-2H3/t15-/m0/s1
InChIKeyUHBNOWRUJFARHL-HNNXBMFYSA-N
MW337.42 g/mol
LogP2.66
Rot. Bonds3

About (3S)-1-(3-fluoro-5-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)piperidine

(3S)-1-(3-fluoro-5-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)piperidine (PubChem CID 164641246) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is (3S)-1-(3-fluoro-5-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-(3-fluoro-5-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)piperidine
PubChem CID164641246
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name(3S)-1-(3-fluoro-5-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)piperidine
SMILESCc1cc(F)cc(S(=O)(=O)N2CCC[C@H](n3cc(C)cn3)C2)c1
InChIInChI=1S/C16H20FN3O2S/c1-12-6-14(17)8-16(7-12)23(21,22)19-5-3-4-15(11-19)20-10-13(2)9-18-20/h6-10,15H,3-5,11H2,1-2H3/t15-/m0/s1
InChIKeyUHBNOWRUJFARHL-HNNXBMFYSA-N
XLogP2.66
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 6468426
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
1-(1-Ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 6467767
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide
CID 3277554
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-(propan-2-yl)benzenesulfonamide
CID 22204129
1-(1-ethylpyrazol-4-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
CID 6465338
1-ethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6470517
N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 19582066
N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204121
1-(1-Benzylpyrazol-4-yl)sulfonyl-4-ethylpiperazine
CID 51099645
3-cyano-4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide
CID 53588627
2-fluoro-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 53597597

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-fluoro-5-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)piperidine?
The IUPAC name of (3S)-1-(3-fluoro-5-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)piperidine (CID 164641246) is (3S)-1-(3-fluoro-5-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)piperidine.
What is the SMILES notation for (3S)-1-(3-fluoro-5-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)piperidine?
The canonical SMILES for (3S)-1-(3-fluoro-5-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)piperidine is Cc1cc(F)cc(S(=O)(=O)N2CCC[C@H](n3cc(C)cn3)C2)c1.
What is the InChIKey of (3S)-1-(3-fluoro-5-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)piperidine?
The InChIKey is UHBNOWRUJFARHL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-12-6-14(17)8-16(7-12)23(21,22)19-5-3-4-15(11-19)20-10-13(2)9-18-20/h6-10,15H,3-5,11H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-1-(3-fluoro-5-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)piperidine?
(3S)-1-(3-fluoro-5-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)piperidine has a molecular weight of 337.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-fluoro-5-methylphenyl)sulfonyl-3-(4-methylpyrazol-1-yl)piperidine is sourced from PubChem (CID 164641246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).