4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C14H15BrN2O2S — CID 25041295

IUPAC4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C14H15BrN2O2S/c1-2-11-9-12(15)6-7-14(11)20(18,19)17-10-13-5-3-4-8-16-13/h3-9,17H,2,10H2,1H3
InChIKeyHHLPKJBVXHKLHG-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.88
Rot. Bonds5

About 4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 25041295) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID25041295
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C14H15BrN2O2S/c1-2-11-9-12(15)6-7-14(11)20(18,19)17-10-13-5-3-4-8-16-13/h3-9,17H,2,10H2,1H3
InChIKeyHHLPKJBVXHKLHG-UHFFFAOYSA-N
XLogP2.88
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-dodecyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 20566512
3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257796
4-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-2-fluorobenzenesulfonamide
CID 116528774
4-bromo-2-ethyl-N-methylbenzenesulfonamide
CID 67059569
4-bromo-2-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 116528063
4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide
CID 3869524
3-bromo-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
CID 4112319
5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110759353
3,4-dichloro-2-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 1258403
3-(aminomethyl)-2,5-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107680363
5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 25048330
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 25041295) is 4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is CCc1cc(Br)ccc1S(=O)(=O)NCc1ccccn1.
What is the InChIKey of 4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is HHLPKJBVXHKLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-2-11-9-12(15)6-7-14(11)20(18,19)17-10-13-5-3-4-8-16-13/h3-9,17H,2,10H2,1H3.
What are the key properties of 4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 25041295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).