2,6-difluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide

C16H13F2NO3S3 — CID 90583615

IUPAC2,6-difluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2cccs2)s1)c1c(F)cccc1F
InChIInChI=1S/C16H13F2NO3S3/c17-11-3-1-4-12(18)16(11)25(21,22)19-9-10-6-7-14(24-10)15(20)13-5-2-8-23-13/h1-8,15,19-20H,9H2
InChIKeyJTTQYGLTESAWDJ-UHFFFAOYSA-N
MW401.48 g/mol
LogP3.65
Rot. Bonds6

About 2,6-difluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide

2,6-difluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide (PubChem CID 90583615) has the molecular formula C16H13F2NO3S3 and a molecular weight of 401.48 g/mol. Its IUPAC name is 2,6-difluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
PubChem CID90583615
Molecular FormulaC16H13F2NO3S3
Molecular Weight401.48 g/mol
Exact Mass401.00
IUPAC Name2,6-difluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2cccs2)s1)c1c(F)cccc1F
InChIInChI=1S/C16H13F2NO3S3/c17-11-3-1-4-12(18)16(11)25(21,22)19-9-10-6-7-14(24-10)15(20)13-5-2-8-23-13/h1-8,15,19-20H,9H2
InChIKeyJTTQYGLTESAWDJ-UHFFFAOYSA-N
XLogP3.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,6-difluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide 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 2,6-difluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide (CID 90583615) is 2,6-difluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(C(O)c2cccs2)s1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The InChIKey is JTTQYGLTESAWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO3S3/c17-11-3-1-4-12(18)16(11)25(21,22)19-9-10-6-7-14(24-10)15(20)13-5-2-8-23-13/h1-8,15,19-20H,9H2.
What are the key properties of 2,6-difluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
2,6-difluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide has a molecular weight of 401.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 90583615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).