2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid

C12H9BrN2O4S — CID 115296023

IUPAC2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cccnc2)ccc1Br
InChIInChI=1S/C12H9BrN2O4S/c13-11-4-3-8(6-10(11)12(16)17)15-20(18,19)9-2-1-5-14-7-9/h1-7,15H,(H,16,17)
InChIKeyYWLNGZJDFYHLOP-UHFFFAOYSA-N
MW357.19 g/mol
LogP2.34
Rot. Bonds4

About 2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid

2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid (PubChem CID 115296023) has the molecular formula C12H9BrN2O4S and a molecular weight of 357.19 g/mol. Its IUPAC name is 2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid
PubChem CID115296023
Molecular FormulaC12H9BrN2O4S
Molecular Weight357.19 g/mol
Exact Mass355.95
IUPAC Name2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cccnc2)ccc1Br
InChIInChI=1S/C12H9BrN2O4S/c13-11-4-3-8(6-10(11)12(16)17)15-20(18,19)9-2-1-5-14-7-9/h1-7,15H,(H,16,17)
InChIKeyYWLNGZJDFYHLOP-UHFFFAOYSA-N
XLogP2.34
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110865862
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CID 88747393
N-(3-iodophenyl)pyridine-3-sulfonamide
CID 61400317
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CID 43904807
N-(3-pyrrolidin-1-ylphenyl)pyridine-3-sulfonamide
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N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide
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N-[4-(chloromethyl)phenyl]pyridine-3-sulfonamide
CID 65031220
N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865791
2-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-5-(pyridin-3-ylsulfonylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid?
The IUPAC name of 2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid (CID 115296023) is 2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid?
The canonical SMILES for 2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid is O=C(O)c1cc(NS(=O)(=O)c2cccnc2)ccc1Br.
What is the InChIKey of 2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid?
The InChIKey is YWLNGZJDFYHLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O4S/c13-11-4-3-8(6-10(11)12(16)17)15-20(18,19)9-2-1-5-14-7-9/h1-7,15H,(H,16,17).
What are the key properties of 2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid?
2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid has a molecular weight of 357.19 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 115296023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).