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

C16H14FNO3S3 — CID 90583595

IUPAC3-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2cccs2)s1)c1cccc(F)c1
InChIInChI=1S/C16H14FNO3S3/c17-11-3-1-4-13(9-11)24(20,21)18-10-12-6-7-15(23-12)16(19)14-5-2-8-22-14/h1-9,16,18-19H,10H2
InChIKeyHRBKOGDRZQTQGM-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.51
Rot. Bonds6

About 3-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide

3-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide (PubChem CID 90583595) has the molecular formula C16H14FNO3S3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
PubChem CID90583595
Molecular FormulaC16H14FNO3S3
Molecular Weight383.49 g/mol
Exact Mass383.01
IUPAC Name3-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2cccs2)s1)c1cccc(F)c1
InChIInChI=1S/C16H14FNO3S3/c17-11-3-1-4-13(9-11)24(20,21)18-10-12-6-7-15(23-12)16(19)14-5-2-8-22-14/h1-9,16,18-19H,10H2
InChIKeyHRBKOGDRZQTQGM-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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Related Compounds

2,5-difluoro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzenesulfonamide
CID 71782492
N-(3-hydroxy-3-(thiophen-2-yl)propyl)benzenesulfonamide
CID 71787848
2,6-difluoro-N-(3-hydroxy-3-(thiophen-2-yl)propyl)benzenesulfonamide
CID 71787853
4-fluoro-N-({5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl}methyl)-2-methylbenzene-1-sulfonamide
CID 71804671
[5-(Aminomethyl)-2-thienyl](2-thienyl)methanol
CID 71778092
N-({5-[Hydroxy(thiophen-2-YL)methyl]thiophen-2-YL}methyl)cyclopropanesulfonamide
CID 71804667
(E)-N-((5-(hydroxy(thiophen-2-yl)methyl)thiophen-2-yl)methyl)-2-phenylethenesulfonamide
CID 71804669
N-((5-(hydroxy(thiophen-3-yl)methyl)thiophen-2-yl)methyl)thiophene-2-sulfonamide
CID 73167876
(S)-{5-[(o-bromophenylsulfonylamino)methyl]-2-thienyl}(2-thienyl)methanol
CID 97107642
2-fluoro-N-((5-(hydroxy(thiophen-2-yl)methyl)thiophen-2-yl)methyl)benzenesulfonamide
CID 71804668
5-fluoro-N-((5-(hydroxy(thiophen-2-yl)methyl)thiophen-2-yl)methyl)-2-methoxybenzenesulfonamide
CID 71804673
N-[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]thiophene-2-sulfonamide
CID 96350509

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide (CID 90583595) is 3-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(C(O)c2cccs2)s1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
The InChIKey is HRBKOGDRZQTQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3S3/c17-11-3-1-4-13(9-11)24(20,21)18-10-12-6-7-15(23-12)16(19)14-5-2-8-22-14/h1-9,16,18-19H,10H2.
What are the key properties of 3-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide?
3-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 3-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 90583595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).