4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide

C13H14BrN3O2S — CID 43114385

IUPAC4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C13H14BrN3O2S/c1-9(15)10-2-5-12(6-3-10)20(18,19)17-13-7-4-11(14)8-16-13/h2-9H,15H2,1H3,(H,16,17)
InChIKeyPARDKWOPRZLMTR-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.66
Rot. Bonds4

About 4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide

4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide (PubChem CID 43114385) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide
PubChem CID43114385
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C13H14BrN3O2S/c1-9(15)10-2-5-12(6-3-10)20(18,19)17-13-7-4-11(14)8-16-13/h2-9H,15H2,1H3,(H,16,17)
InChIKeyPARDKWOPRZLMTR-UHFFFAOYSA-N
XLogP2.66
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide (CID 43114385) is 4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide is CC(N)c1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide?
The InChIKey is PARDKWOPRZLMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-9(15)10-2-5-12(6-3-10)20(18,19)17-13-7-4-11(14)8-16-13/h2-9H,15H2,1H3,(H,16,17).
What are the key properties of 4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide?
4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 43114385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).