2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide

C13H13BrN2O2S — CID 46799998

IUPAC2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1Br)c1ccccn1
InChIInChI=1S/C13H13BrN2O2S/c1-10(12-7-4-5-9-15-12)16-19(17,18)13-8-3-2-6-11(13)14/h2-10,16H,1H3
InChIKeyCIDUOKZVBFIWLR-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.88
Rot. Bonds4

About 2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide

2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 46799998) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID46799998
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1Br)c1ccccn1
InChIInChI=1S/C13H13BrN2O2S/c1-10(12-7-4-5-9-15-12)16-19(17,18)13-8-3-2-6-11(13)14/h2-10,16H,1H3
InChIKeyCIDUOKZVBFIWLR-UHFFFAOYSA-N
XLogP2.88
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 114625101
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 17410002
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40973699
2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41083773
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 62145879
5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 61299506
5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
CID 81393153
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
CID 26944075
5-bromo-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-sulfonamide
CID 79932663
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide (CID 46799998) is 2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1Br)c1ccccn1.
What is the InChIKey of 2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is CIDUOKZVBFIWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-10(12-7-4-5-9-15-12)16-19(17,18)13-8-3-2-6-11(13)14/h2-10,16H,1H3.
What are the key properties of 2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 341.23 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 46799998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).