5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C13H14BrN3O2S — CID 65206667

IUPAC5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)NCCc2ccncc2)c1
InChIInChI=1S/C13H14BrN3O2S/c14-12-2-1-11(15)9-13(12)20(18,19)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9,17H,5,8,15H2
InChIKeyLGNYSFDQXNAEJA-UHFFFAOYSA-N
MW356.25 g/mol
LogP1.95
Rot. Bonds5

About 5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide

5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 65206667) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID65206667
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)NCCc2ccncc2)c1
InChIInChI=1S/C13H14BrN3O2S/c14-12-2-1-11(15)9-13(12)20(18,19)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9,17H,5,8,15H2
InChIKeyLGNYSFDQXNAEJA-UHFFFAOYSA-N
XLogP1.95
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914924
5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 65202093
5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 65201907
5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 65206505
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840167
3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide
CID 65202243
4-amino-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
CID 61299000
5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333529
5-amino-2-bromo-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 65207124
2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914928
2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 64899992

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 65206667) is 5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide is Nc1ccc(Br)c(S(=O)(=O)NCCc2ccncc2)c1.
What is the InChIKey of 5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is LGNYSFDQXNAEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c14-12-2-1-11(15)9-13(12)20(18,19)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9,17H,5,8,15H2.
What are the key properties of 5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 356.25 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 65206667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).