N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide

C9H7ClN2O2S2 — CID 2405422

IUPACN-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1cccs1
InChIInChI=1S/C9H7ClN2O2S2/c10-9-7(3-1-5-11-9)12-16(13,14)8-4-2-6-15-8/h1-6,12H
InChIKeyJOTXFKAVBGNHGR-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.60
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide

N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide (PubChem CID 2405422) has the molecular formula C9H7ClN2O2S2 and a molecular weight of 274.75 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
PubChem CID2405422
Molecular FormulaC9H7ClN2O2S2
Molecular Weight274.75 g/mol
Exact Mass273.96
IUPAC NameN-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1cccs1
InChIInChI=1S/C9H7ClN2O2S2/c10-9-7(3-1-5-11-9)12-16(13,14)8-4-2-6-15-8/h1-6,12H
InChIKeyJOTXFKAVBGNHGR-UHFFFAOYSA-N
XLogP2.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide (CID 2405422) is N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide is O=S(=O)(Nc1cccnc1Cl)c1cccs1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide?
The InChIKey is JOTXFKAVBGNHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S2/c10-9-7(3-1-5-11-9)12-16(13,14)8-4-2-6-15-8/h1-6,12H.
What are the key properties of N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide?
N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide has a molecular weight of 274.75 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2405422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).