4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-sulfonamide

C19H20ClN5O2S — CID 46884635

IUPAC4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C19H20ClN5O2S/c20-16-3-1-14(2-4-16)18-17(13-5-9-22-10-6-13)19(24-23-18)15-7-11-25(12-8-15)28(21,26)27/h1-6,9-10,15H,7-8,11-12H2,(H,23,24)(H2,21,26,27)
InChIKeyKQAVUCRLPGIYGA-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.17
Rot. Bonds4

About 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-sulfonamide

4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-sulfonamide (PubChem CID 46884635) has the molecular formula C19H20ClN5O2S and a molecular weight of 417.92 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-sulfonamide
PubChem CID46884635
Molecular FormulaC19H20ClN5O2S
Molecular Weight417.92 g/mol
Exact Mass417.10
IUPAC Name4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C19H20ClN5O2S/c20-16-3-1-14(2-4-16)18-17(13-5-9-22-10-6-13)19(24-23-18)15-7-11-25(12-8-15)28(21,26)27/h1-6,9-10,15H,7-8,11-12H2,(H,23,24)(H2,21,26,27)
InChIKeyKQAVUCRLPGIYGA-UHFFFAOYSA-N
XLogP3.17
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-sulfonamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-sulfonamide (CID 46884635) is 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-sulfonamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-sulfonamide is NS(=O)(=O)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-sulfonamide?
The InChIKey is KQAVUCRLPGIYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2S/c20-16-3-1-14(2-4-16)18-17(13-5-9-22-10-6-13)19(24-23-18)15-7-11-25(12-8-15)28(21,26)27/h1-6,9-10,15H,7-8,11-12H2,(H,23,24)(H2,21,26,27).
What are the key properties of 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-sulfonamide?
4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-sulfonamide has a molecular weight of 417.92 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 46884635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).