2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide

C14H16BrN3O2S — CID 62146514

IUPAC2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCCCc1ccccc1
InChIInChI=1S/C14H16BrN3O2S/c15-12-9-13(14(16)17-10-12)21(19,20)18-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,18H,4,7-8H2,(H2,16,17)
InChIKeyOQWNAXXNLWGVMA-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.34
Rot. Bonds6

About 2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide (PubChem CID 62146514) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide
PubChem CID62146514
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCCCc1ccccc1
InChIInChI=1S/C14H16BrN3O2S/c15-12-9-13(14(16)17-10-12)21(19,20)18-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,18H,4,7-8H2,(H2,16,17)
InChIKeyOQWNAXXNLWGVMA-UHFFFAOYSA-N
XLogP2.34
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158912
5-bromo-3-(2-phenylethylsulfonyl)pyridin-2-amine
CID 158819543
2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide
CID 62156630
2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide
CID 104922252
2-amino-5-bromo-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide
CID 22515915
2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 115748638
2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 55102157
2-amino-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 62146342
2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
2-amino-5-bromo-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62145809
2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64525350
2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 62164202

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide (CID 62146514) is 2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide is Nc1ncc(Br)cc1S(=O)(=O)NCCCc1ccccc1.
What is the InChIKey of 2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide?
The InChIKey is OQWNAXXNLWGVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c15-12-9-13(14(16)17-10-12)21(19,20)18-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,18H,4,7-8H2,(H2,16,17).
What are the key properties of 2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide has a molecular weight of 370.27 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62146514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).