N-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide

C13H12BrN3O3S — CID 22515885

IUPACN-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cc(Br)cnc2N)c1
InChIInChI=1S/C13H12BrN3O3S/c1-8(18)9-3-2-4-11(5-9)17-21(19,20)12-6-10(14)7-16-13(12)15/h2-7,17H,1H3,(H2,15,16)
InChIKeyFVFRQWXTCAQGMK-UHFFFAOYSA-N
MW370.23 g/mol
LogP2.43
Rot. Bonds4

About N-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide

N-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide (PubChem CID 22515885) has the molecular formula C13H12BrN3O3S and a molecular weight of 370.23 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide
PubChem CID22515885
Molecular FormulaC13H12BrN3O3S
Molecular Weight370.23 g/mol
Exact Mass368.98
IUPAC NameN-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cc(Br)cnc2N)c1
InChIInChI=1S/C13H12BrN3O3S/c1-8(18)9-3-2-4-11(5-9)17-21(19,20)12-6-10(14)7-16-13(12)15/h2-7,17H,1H3,(H2,15,16)
InChIKeyFVFRQWXTCAQGMK-UHFFFAOYSA-N
XLogP2.43
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-bromo-N-(3-iodophenyl)pyridine-3-sulfonamide
CID 55043820
2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide
CID 62156694
2-amino-5-bromo-N-(3-cyanophenyl)pyridine-3-sulfonamide
CID 62145031
2-amino-5-bromo-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 22515848
N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 2126237
2-amino-5-bromo-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-sulfonamide
CID 62150632
2-amino-5-bromo-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62813648
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
2-amino-5-bromo-N-pyridin-2-ylpyridine-3-sulfonamide
CID 55044230
2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 103766525
N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39769709
N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
CID 3836234

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide (CID 22515885) is N-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2cc(Br)cnc2N)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide?
The InChIKey is FVFRQWXTCAQGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3S/c1-8(18)9-3-2-4-11(5-9)17-21(19,20)12-6-10(14)7-16-13(12)15/h2-7,17H,1H3,(H2,15,16).
What are the key properties of N-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide?
N-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide has a molecular weight of 370.23 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide is sourced from PubChem (CID 22515885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).