N-benzyl-2,5-dibromobenzenesulfonamide

C13H11Br2NO2S — CID 7749529

IUPACN-benzyl-2,5-dibromobenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cc(Br)ccc1Br
InChIInChI=1S/C13H11Br2NO2S/c14-11-6-7-12(15)13(8-11)19(17,18)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyHQQJEYMTQJLSFW-UHFFFAOYSA-N
MW405.11 g/mol
LogP3.69
Rot. Bonds4

About N-benzyl-2,5-dibromobenzenesulfonamide

N-benzyl-2,5-dibromobenzenesulfonamide (PubChem CID 7749529) has the molecular formula C13H11Br2NO2S and a molecular weight of 405.11 g/mol. Its IUPAC name is N-benzyl-2,5-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2,5-dibromobenzenesulfonamide
PubChem CID7749529
Molecular FormulaC13H11Br2NO2S
Molecular Weight405.11 g/mol
Exact Mass402.89
IUPAC NameN-benzyl-2,5-dibromobenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cc(Br)ccc1Br
InChIInChI=1S/C13H11Br2NO2S/c14-11-6-7-12(15)13(8-11)19(17,18)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyHQQJEYMTQJLSFW-UHFFFAOYSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.11
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5-dibromobenzenesulfonamide?
The IUPAC name of N-benzyl-2,5-dibromobenzenesulfonamide (CID 7749529) is N-benzyl-2,5-dibromobenzenesulfonamide.
What is the SMILES notation for N-benzyl-2,5-dibromobenzenesulfonamide?
The canonical SMILES for N-benzyl-2,5-dibromobenzenesulfonamide is O=S(=O)(NCc1ccccc1)c1cc(Br)ccc1Br.
What is the InChIKey of N-benzyl-2,5-dibromobenzenesulfonamide?
The InChIKey is HQQJEYMTQJLSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2S/c14-11-6-7-12(15)13(8-11)19(17,18)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2.
What are the key properties of N-benzyl-2,5-dibromobenzenesulfonamide?
N-benzyl-2,5-dibromobenzenesulfonamide has a molecular weight of 405.11 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5-dibromobenzenesulfonamide is sourced from PubChem (CID 7749529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).