2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid

C13H11BrN2O4S — CID 63654276

IUPAC2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2ncccc2C(=O)O)c(Br)c1
InChIInChI=1S/C13H11BrN2O4S/c1-8-4-5-11(10(14)7-8)21(19,20)16-12-9(13(17)18)3-2-6-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyVEAWVRJKVJSMAB-UHFFFAOYSA-N
MW371.21 g/mol
LogP2.65
Rot. Bonds4

About 2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid

2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 63654276) has the molecular formula C13H11BrN2O4S and a molecular weight of 371.21 g/mol. Its IUPAC name is 2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID63654276
Molecular FormulaC13H11BrN2O4S
Molecular Weight371.21 g/mol
Exact Mass369.96
IUPAC Name2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2ncccc2C(=O)O)c(Br)c1
InChIInChI=1S/C13H11BrN2O4S/c1-8-4-5-11(10(14)7-8)21(19,20)16-12-9(13(17)18)3-2-6-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyVEAWVRJKVJSMAB-UHFFFAOYSA-N
XLogP2.65
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.21
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63653933
2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 60824838
2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652356
2-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 4738922
2-[(2,5-dichlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652535
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654634
4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28828893
2-[(2-bromo-4-methylphenyl)sulfonylamino]-3,4,5-trimethoxybenzoic acid
CID 35532742
1-[4-[(2-bromo-4-methylphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 39829886
2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 4739578
N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62164065
2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654103

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 63654276) is 2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid is Cc1ccc(S(=O)(=O)Nc2ncccc2C(=O)O)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is VEAWVRJKVJSMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O4S/c1-8-4-5-11(10(14)7-8)21(19,20)16-12-9(13(17)18)3-2-6-15-12/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 371.21 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63654276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).