2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide

C17H19FN4O4S3 — CID 87290225

IUPAC2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESNS(=O)(=O)C1(S(=O)(=O)c2cccc(F)c2)Cc2c(ccnc2N2CCNCC2)S1
InChIInChI=1S/C17H19FN4O4S3/c18-12-2-1-3-13(10-12)28(23,24)17(29(19,25)26)11-14-15(27-17)4-5-21-16(14)22-8-6-20-7-9-22/h1-5,10,20H,6-9,11H2,(H2,19,25,26)
InChIKeyXYBHCASURUWMTD-UHFFFAOYSA-N
MW458.56 g/mol
LogP0.69
Rot. Bonds4

About 2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide

2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 87290225) has the molecular formula C17H19FN4O4S3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID87290225
Molecular FormulaC17H19FN4O4S3
Molecular Weight458.56 g/mol
Exact Mass458.06
IUPAC Name2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESNS(=O)(=O)C1(S(=O)(=O)c2cccc(F)c2)Cc2c(ccnc2N2CCNCC2)S1
InChIInChI=1S/C17H19FN4O4S3/c18-12-2-1-3-13(10-12)28(23,24)17(29(19,25)26)11-14-15(27-17)4-5-21-16(14)22-8-6-20-7-9-22/h1-5,10,20H,6-9,11H2,(H2,19,25,26)
InChIKeyXYBHCASURUWMTD-UHFFFAOYSA-N
XLogP0.69
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide with MolForge

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Related Compounds

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1-(2-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]pyridine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide (CID 87290225) is 2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide is NS(=O)(=O)C1(S(=O)(=O)c2cccc(F)c2)Cc2c(ccnc2N2CCNCC2)S1.
What is the InChIKey of 2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is XYBHCASURUWMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O4S3/c18-12-2-1-3-13(10-12)28(23,24)17(29(19,25)26)11-14-15(27-17)4-5-21-16(14)22-8-6-20-7-9-22/h1-5,10,20H,6-9,11H2,(H2,19,25,26).
What are the key properties of 2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide?
2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 458.56 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfonyl-4-piperazin-1-yl-3H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 87290225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).