N-(benzenesulfonyl)-N-(5-bromo-3-pyridinyl)benzenesulfonamide

C17H13BrN2O4S2 — CID 71304516

IUPACN-(benzenesulfonyl)-N-(5-bromo-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1cncc(Br)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H13BrN2O4S2/c18-14-11-15(13-19-12-14)20(25(21,22)16-7-3-1-4-8-16)26(23,24)17-9-5-2-6-10-17/h1-13H
InChIKeyHIFQSGLCAZLODB-UHFFFAOYSA-N
MW453.34 g/mol
LogP3.43
Rot. Bonds5

About N-(benzenesulfonyl)-N-(5-bromo-3-pyridinyl)benzenesulfonamide

N-(benzenesulfonyl)-N-(5-bromo-3-pyridinyl)benzenesulfonamide (PubChem CID 71304516) has the molecular formula C17H13BrN2O4S2 and a molecular weight of 453.34 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(5-bromo-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(5-bromo-3-pyridinyl)benzenesulfonamide
PubChem CID71304516
Molecular FormulaC17H13BrN2O4S2
Molecular Weight453.34 g/mol
Exact Mass451.95
IUPAC NameN-(benzenesulfonyl)-N-(5-bromo-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1cncc(Br)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H13BrN2O4S2/c18-14-11-15(13-19-12-14)20(25(21,22)16-7-3-1-4-8-16)26(23,24)17-9-5-2-6-10-17/h1-13H
InChIKeyHIFQSGLCAZLODB-UHFFFAOYSA-N
XLogP3.43
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(5-bromo-3-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-N-(5-bromo-3-pyridinyl)benzenesulfonamide (CID 71304516) is N-(benzenesulfonyl)-N-(5-bromo-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(5-bromo-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(5-bromo-3-pyridinyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(c1cncc(Br)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(5-bromo-3-pyridinyl)benzenesulfonamide?
The InChIKey is HIFQSGLCAZLODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O4S2/c18-14-11-15(13-19-12-14)20(25(21,22)16-7-3-1-4-8-16)26(23,24)17-9-5-2-6-10-17/h1-13H.
What are the key properties of N-(benzenesulfonyl)-N-(5-bromo-3-pyridinyl)benzenesulfonamide?
N-(benzenesulfonyl)-N-(5-bromo-3-pyridinyl)benzenesulfonamide has a molecular weight of 453.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(5-bromo-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 71304516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).