5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide

C9H6BrClN2O2S2 — CID 83167503

IUPAC5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cnccc1Cl)c1ccc(Br)s1
InChIInChI=1S/C9H6BrClN2O2S2/c10-8-1-2-9(16-8)17(14,15)13-7-5-12-4-3-6(7)11/h1-5,13H
InChIKeyBMRZYWVIJHQIJY-UHFFFAOYSA-N
MW353.65 g/mol
LogP3.36
Rot. Bonds3

About 5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide

5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide (PubChem CID 83167503) has the molecular formula C9H6BrClN2O2S2 and a molecular weight of 353.65 g/mol. Its IUPAC name is 5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide
PubChem CID83167503
Molecular FormulaC9H6BrClN2O2S2
Molecular Weight353.65 g/mol
Exact Mass351.87
IUPAC Name5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cnccc1Cl)c1ccc(Br)s1
InChIInChI=1S/C9H6BrClN2O2S2/c10-8-1-2-9(16-8)17(14,15)13-7-5-12-4-3-6(7)11/h1-5,13H
InChIKeyBMRZYWVIJHQIJY-UHFFFAOYSA-N
XLogP3.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide (CID 83167503) is 5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide is O=S(=O)(Nc1cnccc1Cl)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide?
The InChIKey is BMRZYWVIJHQIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O2S2/c10-8-1-2-9(16-8)17(14,15)13-7-5-12-4-3-6(7)11/h1-5,13H.
What are the key properties of 5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide?
5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide has a molecular weight of 353.65 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide is sourced from PubChem (CID 83167503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).