N-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide

C12H11BrN2O2S — CID 878873

IUPACN-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc(Br)cn1
InChIInChI=1S/C12H11BrN2O2S/c13-11-6-7-12(14-8-11)15-18(16,17)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,15)
InChIKeyUAFKMZFQTJGNLO-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.79
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide

N-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide (PubChem CID 878873) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide
PubChem CID878873
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC NameN-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc(Br)cn1
InChIInChI=1S/C12H11BrN2O2S/c13-11-6-7-12(14-8-11)15-18(16,17)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,15)
InChIKeyUAFKMZFQTJGNLO-UHFFFAOYSA-N
XLogP2.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide (CID 878873) is N-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide?
The InChIKey is UAFKMZFQTJGNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c13-11-6-7-12(14-8-11)15-18(16,17)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,15).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide?
N-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide has a molecular weight of 327.20 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 878873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).