4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine

C10H10ClNO2S2 — CID 20680804

IUPAC4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine
SMILESCC(C)S(=O)(=O)c1cc2c(Cl)nccc2s1
InChIInChI=1S/C10H10ClNO2S2/c1-6(2)16(13,14)9-5-7-8(15-9)3-4-12-10(7)11/h3-6H,1-2H3
InChIKeyURWWFZCPAIWDFV-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.13
Rot. Bonds2

About 4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine

4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine (PubChem CID 20680804) has the molecular formula C10H10ClNO2S2 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine
PubChem CID20680804
Molecular FormulaC10H10ClNO2S2
Molecular Weight275.78 g/mol
Exact Mass274.98
IUPAC Name4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine
SMILESCC(C)S(=O)(=O)c1cc2c(Cl)nccc2s1
InChIInChI=1S/C10H10ClNO2S2/c1-6(2)16(13,14)9-5-7-8(15-9)3-4-12-10(7)11/h3-6H,1-2H3
InChIKeyURWWFZCPAIWDFV-UHFFFAOYSA-N
XLogP3.13
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.13
H-Bond Donors ≤ 50
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 4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine?
The IUPAC name of 4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine (CID 20680804) is 4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine.
What is the SMILES notation for 4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine?
The canonical SMILES for 4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine is CC(C)S(=O)(=O)c1cc2c(Cl)nccc2s1.
What is the InChIKey of 4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine?
The InChIKey is URWWFZCPAIWDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2S2/c1-6(2)16(13,14)9-5-7-8(15-9)3-4-12-10(7)11/h3-6H,1-2H3.
What are the key properties of 4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine?
4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine has a molecular weight of 275.78 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-ylsulfonylthieno[3,2-c]pyridine is sourced from PubChem (CID 20680804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).