2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid

C12H9BrN2O4S — CID 63652356

IUPAC2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C12H9BrN2O4S/c13-8-3-1-4-9(7-8)20(18,19)15-11-10(12(16)17)5-2-6-14-11/h1-7H,(H,14,15)(H,16,17)
InChIKeyDMXSZVHTOTTWFP-UHFFFAOYSA-N
MW357.19 g/mol
LogP2.34
Rot. Bonds4

About 2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid

2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 63652356) has the molecular formula C12H9BrN2O4S and a molecular weight of 357.19 g/mol. Its IUPAC name is 2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID63652356
Molecular FormulaC12H9BrN2O4S
Molecular Weight357.19 g/mol
Exact Mass355.95
IUPAC Name2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C12H9BrN2O4S/c13-8-3-1-4-9(7-8)20(18,19)15-11-10(12(16)17)5-2-6-14-11/h1-7H,(H,14,15)(H,16,17)
InChIKeyDMXSZVHTOTTWFP-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

2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654276
2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652535
3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527883
2-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 4738922
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654634
3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide
CID 61217643
2-(2,4-dibromoanilino)pyridine-3-carboxylic acid
CID 63537003
2-(piperidin-1-ylsulfonylamino)pyridine-3-carboxylic acid
CID 63654456
2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 4739578
2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63653933
3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide
CID 47310443
2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654101

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 63652356) is 2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is DMXSZVHTOTTWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O4S/c13-8-3-1-4-9(7-8)20(18,19)15-11-10(12(16)17)5-2-6-14-11/h1-7H,(H,14,15)(H,16,17).
What are the key properties of 2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid?
2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic 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-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63652356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).