6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid

C10H7BrN2O4S2 — CID 63643093

IUPAC6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2sccc2Br)n1
InChIInChI=1S/C10H7BrN2O4S2/c11-6-4-5-18-10(6)19(16,17)13-8-3-1-2-7(12-8)9(14)15/h1-5H,(H,12,13)(H,14,15)
InChIKeyADQUAYISMSKWOH-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.40
Rot. Bonds4

About 6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid

6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid (PubChem CID 63643093) has the molecular formula C10H7BrN2O4S2 and a molecular weight of 363.21 g/mol. Its IUPAC name is 6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
PubChem CID63643093
Molecular FormulaC10H7BrN2O4S2
Molecular Weight363.21 g/mol
Exact Mass361.90
IUPAC Name6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2sccc2Br)n1
InChIInChI=1S/C10H7BrN2O4S2/c11-6-4-5-18-10(6)19(16,17)13-8-3-1-2-7(12-8)9(14)15/h1-5H,(H,12,13)(H,14,15)
InChIKeyADQUAYISMSKWOH-UHFFFAOYSA-N
XLogP2.40
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid (CID 63643093) is 6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NS(=O)(=O)c2sccc2Br)n1.
What is the InChIKey of 6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid?
The InChIKey is ADQUAYISMSKWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O4S2/c11-6-4-5-18-10(6)19(16,17)13-8-3-1-2-7(12-8)9(14)15/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid?
6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid has a molecular weight of 363.21 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63643093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).