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

C17H16FNO4S3 — CID 71804673

IUPAC5-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1ccc(C(O)c2cccs2)s1
InChIInChI=1S/C17H16FNO4S3/c1-23-13-6-4-11(18)9-16(13)26(21,22)19-10-12-5-7-15(25-12)17(20)14-3-2-8-24-14/h2-9,17,19-20H,10H2,1H3
InChIKeyMVGQMOAWJXLDRY-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.52
Rot. Bonds7

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

5-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide (PubChem CID 71804673) has the molecular formula C17H16FNO4S3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 5-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide
PubChem CID71804673
Molecular FormulaC17H16FNO4S3
Molecular Weight413.52 g/mol
Exact Mass413.02
IUPAC Name5-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1ccc(C(O)c2cccs2)s1
InChIInChI=1S/C17H16FNO4S3/c1-23-13-6-4-11(18)9-16(13)26(21,22)19-10-12-5-7-15(25-12)17(20)14-3-2-8-24-14/h2-9,17,19-20H,10H2,1H3
InChIKeyMVGQMOAWJXLDRY-UHFFFAOYSA-N
XLogP3.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

5-fluoro-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)-2-methoxybenzenesulfonamide
CID 56764050
N-(2-hydroxy-2-(thiophen-2-yl)ethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 76147818
(S)-1-(2-thienyl)-3-(p-trifluoromethoxyphenylsulfonylamino)-1-propanol
CID 96350547
(S)-{5-[(4-ethoxy-3-fluorophenylsulfonylamino)methyl]-2-thienyl}(3-thienyl)methanol
CID 99882726
N-(3-hydroxy-3-(thiophen-2-yl)propyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71787868
5-chloro-N-((5-(hydroxy(thiophen-2-yl)methyl)thiophen-2-yl)methyl)-2-methoxybenzenesulfonamide
CID 71804676
(S)-{5-[(4-propoxy-3-tolylsulfonylamino)methyl]-2-thienyl}(2-thienyl)methanol
CID 97106547
(R)-(5-{[2-(p-methoxyphenyl)ethylsulfonylamino]methyl}-2-thienyl)phenylmethanol
CID 99882820
4-fluoro-3-methoxy-N-(2-thienylmethyl)benzenesulfonamide
CID 2984844
5-fluoro-2-methoxy-N-(2-thienylmethyl)benzenesulfonamide
CID 2989037
5-fluoro-N-(3-hydroxy-3-(thiophen-2-yl)propyl)-2-methoxybenzenesulfonamide
CID 71787858
2-fluoro-N-((5-(hydroxy(thiophen-2-yl)methyl)thiophen-2-yl)methyl)benzenesulfonamide
CID 71804668

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide (CID 71804673) is 5-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCc1ccc(C(O)c2cccs2)s1.
What is the InChIKey of 5-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide?
The InChIKey is MVGQMOAWJXLDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4S3/c1-23-13-6-4-11(18)9-16(13)26(21,22)19-10-12-5-7-15(25-12)17(20)14-3-2-8-24-14/h2-9,17,19-20H,10H2,1H3.
What are the key properties of 5-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide?
5-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide has a molecular weight of 413.52 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 71804673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).