6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide

C13H14BrN3O2S — CID 107868859

IUPAC6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(N)nc1)c1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3O2S/c1-9(10-2-4-11(14)5-3-10)17-20(18,19)12-6-7-13(15)16-8-12/h2-9,17H,1H3,(H2,15,16)/t9-/m1/s1
InChIKeyTWYSBYNPXUIIGS-SECBINFHSA-N
MW356.25 g/mol
LogP2.47
Rot. Bonds4

About 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide

6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 107868859) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide
PubChem CID107868859
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(N)nc1)c1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3O2S/c1-9(10-2-4-11(14)5-3-10)17-20(18,19)12-6-7-13(15)16-8-12/h2-9,17H,1H3,(H2,15,16)/t9-/m1/s1
InChIKeyTWYSBYNPXUIIGS-SECBINFHSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[1-(4-bromophenyl)ethyl]-5-chloropyridine-3-sulfonamide
CID 64601294
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
6-amino-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62148005
4-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868868
6-amino-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 104827316
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide
CID 114612845
6-amino-N-pentan-3-ylpyridine-3-sulfonamide
CID 62148993
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107869105
6-[1-(4-bromophenyl)ethylamino]-N-methylpyridine-3-sulfonamide
CID 133299268
6-amino-N-(4-hydroxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 113484660

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide (CID 107868859) is 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide is C[C@@H](NS(=O)(=O)c1ccc(N)nc1)c1ccc(Br)cc1.
What is the InChIKey of 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is TWYSBYNPXUIIGS-SECBINFHSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-9(10-2-4-11(14)5-3-10)17-20(18,19)12-6-7-13(15)16-8-12/h2-9,17H,1H3,(H2,15,16)/t9-/m1/s1.
What are the key properties of 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide?
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 107868859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).