1-(3-chloro-4-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)piperidine

C15H17ClFN3O2S — CID 122161974

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)piperidine
SMILESCn1cc(C2CCCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C15H17ClFN3O2S/c1-19-10-11(9-18-19)15-4-2-3-7-20(15)23(21,22)12-5-6-14(17)13(16)8-12/h5-6,8-10,15H,2-4,7H2,1H3
InChIKeyXFTRELLIQWGXQZ-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.13
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)piperidine

1-(3-chloro-4-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)piperidine (PubChem CID 122161974) has the molecular formula C15H17ClFN3O2S and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)piperidine
PubChem CID122161974
Molecular FormulaC15H17ClFN3O2S
Molecular Weight357.84 g/mol
Exact Mass357.07
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)piperidine
SMILESCn1cc(C2CCCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C15H17ClFN3O2S/c1-19-10-11(9-18-19)15-4-2-3-7-20(15)23(21,22)12-5-6-14(17)13(16)8-12/h5-6,8-10,15H,2-4,7H2,1H3
InChIKeyXFTRELLIQWGXQZ-UHFFFAOYSA-N
XLogP3.13
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-fluorobenzyl)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6465363
1-(3-chlorobenzyl)-4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6467892
4-(4-Chloro-2-fluorobenzylidene)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine
CID 86580704
1-(2-chlorobenzyl)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6468378
1-(3-chlorobenzyl)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6466144
4-[[5-(3-Chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]sulfonyl]-1-methylpyrazole
CID 118937498
4-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 19577768
2,5-dichloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204139
5-Chloro-2-Fluoro-N-[1-(4-Piperidyl)pyrazol-4-Yl]benzenesulfonamide
CID 75815412
4-((1H-pyrazol-1-yl)methyl)-1-((3-chloro-2-methylphenyl)sulfonyl)piperidine
CID 71781203
4-fluoro-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 47062350
4-chloro-2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 47062352

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)piperidine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)piperidine (CID 122161974) is 1-(3-chloro-4-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)piperidine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)piperidine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)piperidine is Cn1cc(C2CCCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)piperidine?
The InChIKey is XFTRELLIQWGXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O2S/c1-19-10-11(9-18-19)15-4-2-3-7-20(15)23(21,22)12-5-6-14(17)13(16)8-12/h5-6,8-10,15H,2-4,7H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)piperidine?
1-(3-chloro-4-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)piperidine has a molecular weight of 357.84 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)piperidine is sourced from PubChem (CID 122161974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).