N-[(2,3-difluorophenyl)methyl]-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide

C18H18F2N4O2S2 — CID 67156462

IUPACN-[(2,3-difluorophenyl)methyl]-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide
SMILESO=S(=O)(NCc1cccc(F)c1F)c1cc2c(N3CCNCC3)nccc2s1
InChIInChI=1S/C18H18F2N4O2S2/c19-14-3-1-2-12(17(14)20)11-23-28(25,26)16-10-13-15(27-16)4-5-22-18(13)24-8-6-21-7-9-24/h1-5,10,21,23H,6-9,11H2
InChIKeySNXNWTBRKLBMCV-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.46
Rot. Bonds5

About N-[(2,3-difluorophenyl)methyl]-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide

N-[(2,3-difluorophenyl)methyl]-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 67156462) has the molecular formula C18H18F2N4O2S2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide
PubChem CID67156462
Molecular FormulaC18H18F2N4O2S2
Molecular Weight424.50 g/mol
Exact Mass424.08
IUPAC NameN-[(2,3-difluorophenyl)methyl]-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide
SMILESO=S(=O)(NCc1cccc(F)c1F)c1cc2c(N3CCNCC3)nccc2s1
InChIInChI=1S/C18H18F2N4O2S2/c19-14-3-1-2-12(17(14)20)11-23-28(25,26)16-10-13-15(27-16)4-5-22-18(13)24-8-6-21-7-9-24/h1-5,10,21,23H,6-9,11H2
InChIKeySNXNWTBRKLBMCV-UHFFFAOYSA-N
XLogP2.46
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2,3-difluorophenyl)methyl]-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide (CID 67156462) is N-[(2,3-difluorophenyl)methyl]-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide is O=S(=O)(NCc1cccc(F)c1F)c1cc2c(N3CCNCC3)nccc2s1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is SNXNWTBRKLBMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2S2/c19-14-3-1-2-12(17(14)20)11-23-28(25,26)16-10-13-15(27-16)4-5-22-18(13)24-8-6-21-7-9-24/h1-5,10,21,23H,6-9,11H2.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide?
N-[(2,3-difluorophenyl)methyl]-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 424.50 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-4-piperazin-1-ylthieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 67156462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).