6-[(4-bromophenyl)sulfonylmethylamino]pyridine-2-carboxylic acid

C13H11BrN2O4S — CID 127257782

IUPAC6-[(4-bromophenyl)sulfonylmethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCS(=O)(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C13H11BrN2O4S/c14-9-4-6-10(7-5-9)21(19,20)8-15-12-3-1-2-11(16-12)13(17)18/h1-7H,8H2,(H,15,16)(H,17,18)
InChIKeyAZARUNPOFUKNLB-UHFFFAOYSA-N
MW371.21 g/mol
LogP2.39
Rot. Bonds5

About 6-[(4-bromophenyl)sulfonylmethylamino]pyridine-2-carboxylic acid

6-[(4-bromophenyl)sulfonylmethylamino]pyridine-2-carboxylic acid (PubChem CID 127257782) has the molecular formula C13H11BrN2O4S and a molecular weight of 371.21 g/mol. Its IUPAC name is 6-[(4-bromophenyl)sulfonylmethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-bromophenyl)sulfonylmethylamino]pyridine-2-carboxylic acid
PubChem CID127257782
Molecular FormulaC13H11BrN2O4S
Molecular Weight371.21 g/mol
Exact Mass369.96
IUPAC Name6-[(4-bromophenyl)sulfonylmethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCS(=O)(=O)c2ccc(Br)cc2)n1
InChIInChI=1S/C13H11BrN2O4S/c14-9-4-6-10(7-5-9)21(19,20)8-15-12-3-1-2-11(16-12)13(17)18/h1-7H,8H2,(H,15,16)(H,17,18)
InChIKeyAZARUNPOFUKNLB-UHFFFAOYSA-N
XLogP2.39
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.21
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid
CID 122057801
6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 63643093
6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240234
6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid
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CID 106213743

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)sulfonylmethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-bromophenyl)sulfonylmethylamino]pyridine-2-carboxylic acid (CID 127257782) is 6-[(4-bromophenyl)sulfonylmethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-bromophenyl)sulfonylmethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-bromophenyl)sulfonylmethylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NCS(=O)(=O)c2ccc(Br)cc2)n1.
What is the InChIKey of 6-[(4-bromophenyl)sulfonylmethylamino]pyridine-2-carboxylic acid?
The InChIKey is AZARUNPOFUKNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O4S/c14-9-4-6-10(7-5-9)21(19,20)8-15-12-3-1-2-11(16-12)13(17)18/h1-7H,8H2,(H,15,16)(H,17,18).
What are the key properties of 6-[(4-bromophenyl)sulfonylmethylamino]pyridine-2-carboxylic acid?
6-[(4-bromophenyl)sulfonylmethylamino]pyridine-2-carboxylic acid has a molecular weight of 371.21 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)sulfonylmethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 127257782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).