2-(4-bromophenyl)sulfonyl-5-phenyl-3,4-dihydropyrazole

C15H13BrN2O2S — CID 44591998

IUPAC2-(4-bromophenyl)sulfonyl-5-phenyl-3,4-dihydropyrazole
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C15H13BrN2O2S/c16-13-6-8-14(9-7-13)21(19,20)18-11-10-15(17-18)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyNMNYUPMDVNBVPY-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.25
Rot. Bonds3

About 2-(4-bromophenyl)sulfonyl-5-phenyl-3,4-dihydropyrazole

2-(4-bromophenyl)sulfonyl-5-phenyl-3,4-dihydropyrazole (PubChem CID 44591998) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-5-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-5-phenyl-3,4-dihydropyrazole
PubChem CID44591998
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name2-(4-bromophenyl)sulfonyl-5-phenyl-3,4-dihydropyrazole
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C15H13BrN2O2S/c16-13-6-8-14(9-7-13)21(19,20)18-11-10-15(17-18)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyNMNYUPMDVNBVPY-UHFFFAOYSA-N
XLogP3.25
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-5-phenyl-3,4-dihydropyrazole?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-5-phenyl-3,4-dihydropyrazole (CID 44591998) is 2-(4-bromophenyl)sulfonyl-5-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-5-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-5-phenyl-3,4-dihydropyrazole is O=S(=O)(c1ccc(Br)cc1)N1CCC(c2ccccc2)=N1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-5-phenyl-3,4-dihydropyrazole?
The InChIKey is NMNYUPMDVNBVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c16-13-6-8-14(9-7-13)21(19,20)18-11-10-15(17-18)12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 2-(4-bromophenyl)sulfonyl-5-phenyl-3,4-dihydropyrazole?
2-(4-bromophenyl)sulfonyl-5-phenyl-3,4-dihydropyrazole has a molecular weight of 365.25 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-5-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 44591998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).