N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide

C13H13BrN2O2S — CID 90765616

IUPACN-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C13H13BrN2O2S/c14-12-8-11(9-15-10-12)6-7-16-19(17,18)13-4-2-1-3-5-13/h1-5,8-10,16H,6-7H2
InChIKeyZGGRRNLUOWGDOO-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.37
Rot. Bonds5

About N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide

N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide (PubChem CID 90765616) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide
PubChem CID90765616
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC NameN-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C13H13BrN2O2S/c14-12-8-11(9-15-10-12)6-7-16-19(17,18)13-4-2-1-3-5-13/h1-5,8-10,16H,6-7H2
InChIKeyZGGRRNLUOWGDOO-UHFFFAOYSA-N
XLogP2.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729110
N-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide
CID 110789741
N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide
CID 90129375
N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235671
3-[3-[2-(benzenesulfonamido)ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid
CID 10764803
N-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide
CID 139687321
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide
CID 103731692
5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 76848572
4-bromo-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605294
3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide
CID 55560053

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide (CID 90765616) is N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1cncc(Br)c1)c1ccccc1.
What is the InChIKey of N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide?
The InChIKey is ZGGRRNLUOWGDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c14-12-8-11(9-15-10-12)6-7-16-19(17,18)13-4-2-1-3-5-13/h1-5,8-10,16H,6-7H2.
What are the key properties of N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide?
N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide has a molecular weight of 341.23 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90765616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).