2-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]benzenesulfonamide

C15H11Br2N3O2S — CID 55700070

IUPAC2-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cc(Br)cn1)c1ccccc1Br
InChIInChI=1S/C15H11Br2N3O2S/c16-11-9-18-20(10-11)14-7-3-2-6-13(14)19-23(21,22)15-8-4-1-5-12(15)17/h1-10,19H
InChIKeyQBDBXWRYRVYCEF-UHFFFAOYSA-N
MW457.15 g/mol
LogP4.20
Rot. Bonds4

About 2-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]benzenesulfonamide

2-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 55700070) has the molecular formula C15H11Br2N3O2S and a molecular weight of 457.15 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID55700070
Molecular FormulaC15H11Br2N3O2S
Molecular Weight457.15 g/mol
Exact Mass454.89
IUPAC Name2-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cc(Br)cn1)c1ccccc1Br
InChIInChI=1S/C15H11Br2N3O2S/c16-11-9-18-20(10-11)14-7-3-2-6-13(14)19-23(21,22)15-8-4-1-5-12(15)17/h1-10,19H
InChIKeyQBDBXWRYRVYCEF-UHFFFAOYSA-N
XLogP4.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.15
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]benzenesulfonamide (CID 55700070) is 2-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1-n1cc(Br)cn1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is QBDBXWRYRVYCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N3O2S/c16-11-9-18-20(10-11)14-7-3-2-6-13(14)19-23(21,22)15-8-4-1-5-12(15)17/h1-10,19H.
What are the key properties of 2-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]benzenesulfonamide?
2-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 457.15 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 55700070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).