2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C14H15BrN2O2S — CID 47104193

IUPAC2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-17(11-9-12-6-4-5-10-16-12)20(18,19)14-8-3-2-7-13(14)15/h2-8,10H,9,11H2,1H3
InChIKeyJHALHCMXHPAXEX-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.71
Rot. Bonds5

About 2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 47104193) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID47104193
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-17(11-9-12-6-4-5-10-16-12)20(18,19)14-8-3-2-7-13(14)15/h2-8,10H,9,11H2,1H3
InChIKeyJHALHCMXHPAXEX-UHFFFAOYSA-N
XLogP2.71
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 47104193) is 2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is CN(CCc1ccccn1)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is JHALHCMXHPAXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-17(11-9-12-6-4-5-10-16-12)20(18,19)14-8-3-2-7-13(14)15/h2-8,10H,9,11H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 47104193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).