3-(benzenesulfonyl)-1-(4-bromophenyl)-5-chloropyrazol-4-ol

C15H10BrClN2O3S — CID 10251183

IUPAC3-(benzenesulfonyl)-1-(4-bromophenyl)-5-chloropyrazol-4-ol
SMILESO=S(=O)(c1ccccc1)c1nn(-c2ccc(Br)cc2)c(Cl)c1O
InChIInChI=1S/C15H10BrClN2O3S/c16-10-6-8-11(9-7-10)19-14(17)13(20)15(18-19)23(21,22)12-4-2-1-3-5-12/h1-9,20H
InChIKeyKUWNYNHZDZFRGV-UHFFFAOYSA-N
MW413.68 g/mol
LogP3.83
Rot. Bonds3

About 3-(benzenesulfonyl)-1-(4-bromophenyl)-5-chloropyrazol-4-ol

3-(benzenesulfonyl)-1-(4-bromophenyl)-5-chloropyrazol-4-ol (PubChem CID 10251183) has the molecular formula C15H10BrClN2O3S and a molecular weight of 413.68 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(4-bromophenyl)-5-chloropyrazol-4-ol.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(4-bromophenyl)-5-chloropyrazol-4-ol
PubChem CID10251183
Molecular FormulaC15H10BrClN2O3S
Molecular Weight413.68 g/mol
Exact Mass411.93
IUPAC Name3-(benzenesulfonyl)-1-(4-bromophenyl)-5-chloropyrazol-4-ol
SMILESO=S(=O)(c1ccccc1)c1nn(-c2ccc(Br)cc2)c(Cl)c1O
InChIInChI=1S/C15H10BrClN2O3S/c16-10-6-8-11(9-7-10)19-14(17)13(20)15(18-19)23(21,22)12-4-2-1-3-5-12/h1-9,20H
InChIKeyKUWNYNHZDZFRGV-UHFFFAOYSA-N
XLogP3.83
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.68
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(4-bromophenyl)-5-chloropyrazol-4-ol?
The IUPAC name of 3-(benzenesulfonyl)-1-(4-bromophenyl)-5-chloropyrazol-4-ol (CID 10251183) is 3-(benzenesulfonyl)-1-(4-bromophenyl)-5-chloropyrazol-4-ol.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(4-bromophenyl)-5-chloropyrazol-4-ol?
The canonical SMILES for 3-(benzenesulfonyl)-1-(4-bromophenyl)-5-chloropyrazol-4-ol is O=S(=O)(c1ccccc1)c1nn(-c2ccc(Br)cc2)c(Cl)c1O.
What is the InChIKey of 3-(benzenesulfonyl)-1-(4-bromophenyl)-5-chloropyrazol-4-ol?
The InChIKey is KUWNYNHZDZFRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O3S/c16-10-6-8-11(9-7-10)19-14(17)13(20)15(18-19)23(21,22)12-4-2-1-3-5-12/h1-9,20H.
What are the key properties of 3-(benzenesulfonyl)-1-(4-bromophenyl)-5-chloropyrazol-4-ol?
3-(benzenesulfonyl)-1-(4-bromophenyl)-5-chloropyrazol-4-ol has a molecular weight of 413.68 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(4-bromophenyl)-5-chloropyrazol-4-ol is sourced from PubChem (CID 10251183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).