(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide

C16H21FN4O2S — CID 95107383

IUPAC(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C16H21FN4O2S/c1-20(2)24(22,23)21-9-3-4-13(11-21)16-10-15(18-19-16)12-5-7-14(17)8-6-12/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyDRAIABUIKHPZCV-ZDUSSCGKSA-N
MW352.44 g/mol
LogP2.20
Rot. Bonds4

About (3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide

(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 95107383) has the molecular formula C16H21FN4O2S and a molecular weight of 352.44 g/mol. Its IUPAC name is (3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID95107383
Molecular FormulaC16H21FN4O2S
Molecular Weight352.44 g/mol
Exact Mass352.14
IUPAC Name(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](c2cc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C16H21FN4O2S/c1-20(2)24(22,23)21-9-3-4-13(11-21)16-10-15(18-19-16)12-5-7-14(17)8-6-12/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,18,19)/t13-/m0/s1
InChIKeyDRAIABUIKHPZCV-ZDUSSCGKSA-N
XLogP2.20
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10587140
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CID 10687967
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CID 45265533
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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide (CID 95107383) is (3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC[C@H](c2cc(-c3ccc(F)cc3)n[nH]2)C1.
What is the InChIKey of (3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is DRAIABUIKHPZCV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21FN4O2S/c1-20(2)24(22,23)21-9-3-4-13(11-21)16-10-15(18-19-16)12-5-7-14(17)8-6-12/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide?
(3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 352.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 95107383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).