3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid

C10H6BrClN2O4S2 — CID 104740611

IUPAC3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H6BrClN2O4S2/c11-9-5(12)4-7(19-9)20(17,18)14-6-2-1-3-13-8(6)10(15)16/h1-4,14H,(H,15,16)
InChIKeyRQDYNCHMTZYLFE-UHFFFAOYSA-N
MW397.66 g/mol
LogP3.06
Rot. Bonds4

About 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid

3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid (PubChem CID 104740611) has the molecular formula C10H6BrClN2O4S2 and a molecular weight of 397.66 g/mol. Its IUPAC name is 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
PubChem CID104740611
Molecular FormulaC10H6BrClN2O4S2
Molecular Weight397.66 g/mol
Exact Mass395.86
IUPAC Name3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H6BrClN2O4S2/c11-9-5(12)4-7(19-9)20(17,18)14-6-2-1-3-13-8(6)10(15)16/h1-4,14H,(H,15,16)
InChIKeyRQDYNCHMTZYLFE-UHFFFAOYSA-N
XLogP3.06
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 113341680
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid
CID 80577224
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid
CID 107264939
5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide
CID 114296086
5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 80578641
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-chlorothiophene-2-sulfonamide
CID 107792917
3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115777996
5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 113267852
5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide
CID 80579944
3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115778031
5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide
CID 80577549
5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide
CID 80578616

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid (CID 104740611) is 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid is O=C(O)c1ncccc1NS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid?
The InChIKey is RQDYNCHMTZYLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O4S2/c11-9-5(12)4-7(19-9)20(17,18)14-6-2-1-3-13-8(6)10(15)16/h1-4,14H,(H,15,16).
What are the key properties of 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid?
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid has a molecular weight of 397.66 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104740611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).