1-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)piperidine

C16H20FN3O2S — CID 56889664

IUPAC1-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)piperidine
SMILESCCn1cc(S(=O)(=O)N2CCCCC2c2ccc(F)cc2)cn1
InChIInChI=1S/C16H20FN3O2S/c1-2-19-12-15(11-18-19)23(21,22)20-10-4-3-5-16(20)13-6-8-14(17)9-7-13/h6-9,11-12,16H,2-5,10H2,1H3
InChIKeyDDXZQQWDXWINBR-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.96
Rot. Bonds4

About 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)piperidine

1-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)piperidine (PubChem CID 56889664) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)piperidine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)piperidine
PubChem CID56889664
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name1-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)piperidine
SMILESCCn1cc(S(=O)(=O)N2CCCCC2c2ccc(F)cc2)cn1
InChIInChI=1S/C16H20FN3O2S/c1-2-19-12-15(11-18-19)23(21,22)20-10-4-3-5-16(20)13-6-8-14(17)9-7-13/h6-9,11-12,16H,2-5,10H2,1H3
InChIKeyDDXZQQWDXWINBR-UHFFFAOYSA-N
XLogP2.96
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(Pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 127025293
1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
1-Methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-1-methyl-pyrrolidin-3-yl)-benzylamide
CID 56836167
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
N-[[3-[1-(azetidin-1-yl)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836904
1-(3-chlorobenzyl)-4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6467892
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide
CID 6464746
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)piperidine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)piperidine (CID 56889664) is 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)piperidine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)piperidine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)piperidine is CCn1cc(S(=O)(=O)N2CCCCC2c2ccc(F)cc2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)piperidine?
The InChIKey is DDXZQQWDXWINBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-2-19-12-15(11-18-19)23(21,22)20-10-4-3-5-16(20)13-6-8-14(17)9-7-13/h6-9,11-12,16H,2-5,10H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)piperidine?
1-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)piperidine has a molecular weight of 337.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)piperidine is sourced from PubChem (CID 56889664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).