N-(4-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide

C13H12BrN3O3S — CID 22515824

IUPACN-(4-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cc(Br)cnc2N)cc1
InChIInChI=1S/C13H12BrN3O3S/c1-8(18)9-2-4-11(5-3-9)17-21(19,20)12-6-10(14)7-16-13(12)15/h2-7,17H,1H3,(H2,15,16)
InChIKeySZNWUYFOPQPPHX-UHFFFAOYSA-N
MW370.23 g/mol
LogP2.43
Rot. Bonds4

About N-(4-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide

N-(4-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide (PubChem CID 22515824) has the molecular formula C13H12BrN3O3S and a molecular weight of 370.23 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide
PubChem CID22515824
Molecular FormulaC13H12BrN3O3S
Molecular Weight370.23 g/mol
Exact Mass368.98
IUPAC NameN-(4-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cc(Br)cnc2N)cc1
InChIInChI=1S/C13H12BrN3O3S/c1-8(18)9-2-4-11(5-3-9)17-21(19,20)12-6-10(14)7-16-13(12)15/h2-7,17H,1H3,(H2,15,16)
InChIKeySZNWUYFOPQPPHX-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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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide?
The IUPAC name of N-(4-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide (CID 22515824) is N-(4-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2cc(Br)cnc2N)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide?
The InChIKey is SZNWUYFOPQPPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3S/c1-8(18)9-2-4-11(5-3-9)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-(4-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide?
N-(4-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-(4-acetylphenyl)-2-amino-5-bromopyridine-3-sulfonamide is sourced from PubChem (CID 22515824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).