5-(5-chloro-3-pyridinyl)thiophene-2-sulfonic acid

C9H6ClNO3S2 — CID 19351004

IUPAC5-(5-chloro-3-pyridinyl)thiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(-c2cncc(Cl)c2)s1
InChIInChI=1S/C9H6ClNO3S2/c10-7-3-6(4-11-5-7)8-1-2-9(15-8)16(12,13)14/h1-5H,(H,12,13,14)
InChIKeyKLXFZWFEVJYMCK-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.71
Rot. Bonds2

About 5-(5-chloro-3-pyridinyl)thiophene-2-sulfonic acid

5-(5-chloro-3-pyridinyl)thiophene-2-sulfonic acid (PubChem CID 19351004) has the molecular formula C9H6ClNO3S2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-(5-chloro-3-pyridinyl)thiophene-2-sulfonic acid.

Molecular Properties

Compound Name5-(5-chloro-3-pyridinyl)thiophene-2-sulfonic acid
PubChem CID19351004
Molecular FormulaC9H6ClNO3S2
Molecular Weight275.74 g/mol
Exact Mass274.95
IUPAC Name5-(5-chloro-3-pyridinyl)thiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(-c2cncc(Cl)c2)s1
InChIInChI=1S/C9H6ClNO3S2/c10-7-3-6(4-11-5-7)8-1-2-9(15-8)16(12,13)14/h1-5H,(H,12,13,14)
InChIKeyKLXFZWFEVJYMCK-UHFFFAOYSA-N
XLogP2.71
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-pyridinyl)thiophene-2-sulfonic acid?
The IUPAC name of 5-(5-chloro-3-pyridinyl)thiophene-2-sulfonic acid (CID 19351004) is 5-(5-chloro-3-pyridinyl)thiophene-2-sulfonic acid.
What is the SMILES notation for 5-(5-chloro-3-pyridinyl)thiophene-2-sulfonic acid?
The canonical SMILES for 5-(5-chloro-3-pyridinyl)thiophene-2-sulfonic acid is O=S(=O)(O)c1ccc(-c2cncc(Cl)c2)s1.
What is the InChIKey of 5-(5-chloro-3-pyridinyl)thiophene-2-sulfonic acid?
The InChIKey is KLXFZWFEVJYMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3S2/c10-7-3-6(4-11-5-7)8-1-2-9(15-8)16(12,13)14/h1-5H,(H,12,13,14).
What are the key properties of 5-(5-chloro-3-pyridinyl)thiophene-2-sulfonic acid?
5-(5-chloro-3-pyridinyl)thiophene-2-sulfonic acid has a molecular weight of 275.74 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-pyridinyl)thiophene-2-sulfonic acid is sourced from PubChem (CID 19351004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).