4-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide

C16H14FNO3S3 — CID 90583594

IUPAC4-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2cccs2)s1)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO3S3/c17-11-3-6-13(7-4-11)24(20,21)18-10-12-5-8-15(23-12)16(19)14-2-1-9-22-14/h1-9,16,18-19H,10H2
InChIKeyWHDYKNSPMZVOSS-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.51
Rot. Bonds6

About 4-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide

4-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide (PubChem CID 90583594) has the molecular formula C16H14FNO3S3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
PubChem CID90583594
Molecular FormulaC16H14FNO3S3
Molecular Weight383.49 g/mol
Exact Mass383.01
IUPAC Name4-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2cccs2)s1)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO3S3/c17-11-3-6-13(7-4-11)24(20,21)18-10-12-5-8-15(23-12)16(19)14-2-1-9-22-14/h1-9,16,18-19H,10H2
InChIKeyWHDYKNSPMZVOSS-UHFFFAOYSA-N
XLogP3.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide (CID 90583594) is 4-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(C(O)c2cccs2)s1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The InChIKey is WHDYKNSPMZVOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3S3/c17-11-3-6-13(7-4-11)24(20,21)18-10-12-5-8-15(23-12)16(19)14-2-1-9-22-14/h1-9,16,18-19H,10H2.
What are the key properties of 4-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
4-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide has a molecular weight of 383.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 90583594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).