[5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol

C15H12ClN3O3S — CID 86631728

IUPAC[5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol
SMILESO=S(=O)(c1ccccc1)c1cc(CO)nn1-c1cccnc1Cl
InChIInChI=1S/C15H12ClN3O3S/c16-15-13(7-4-8-17-15)19-14(9-11(10-20)18-19)23(21,22)12-5-2-1-3-6-12/h1-9,20H,10H2
InChIKeyDWHNVHWRBSNCGN-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.25
Rot. Bonds4

About [5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol

[5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol (PubChem CID 86631728) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is [5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol
PubChem CID86631728
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC Name[5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol
SMILESO=S(=O)(c1ccccc1)c1cc(CO)nn1-c1cccnc1Cl
InChIInChI=1S/C15H12ClN3O3S/c16-15-13(7-4-8-17-15)19-14(9-11(10-20)18-19)23(21,22)12-5-2-1-3-6-12/h1-9,20H,10H2
InChIKeyDWHNVHWRBSNCGN-UHFFFAOYSA-N
XLogP2.25
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol?
The IUPAC name of [5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol (CID 86631728) is [5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol?
The canonical SMILES for [5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol is O=S(=O)(c1ccccc1)c1cc(CO)nn1-c1cccnc1Cl.
What is the InChIKey of [5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol?
The InChIKey is DWHNVHWRBSNCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c16-15-13(7-4-8-17-15)19-14(9-11(10-20)18-19)23(21,22)12-5-2-1-3-6-12/h1-9,20H,10H2.
What are the key properties of [5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol?
[5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol has a molecular weight of 349.80 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 86631728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).