5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide

C16H15FN2O3S3 — CID 7693532

IUPAC5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCc1csc(-c2cccs2)n1
InChIInChI=1S/C16H15FN2O3S3/c1-22-13-5-4-11(17)9-15(13)25(20,21)18-7-6-12-10-24-16(19-12)14-3-2-8-23-14/h2-5,8-10,18H,6-7H2,1H3
InChIKeyHFHYFTIOBUAQGN-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.54
Rot. Bonds7

About 5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 7693532) has the molecular formula C16H15FN2O3S3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID7693532
Molecular FormulaC16H15FN2O3S3
Molecular Weight398.51 g/mol
Exact Mass398.02
IUPAC Name5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCc1csc(-c2cccs2)n1
InChIInChI=1S/C16H15FN2O3S3/c1-22-13-5-4-11(17)9-15(13)25(20,21)18-7-6-12-10-24-16(19-12)14-3-2-8-23-14/h2-5,8-10,18H,6-7H2,1H3
InChIKeyHFHYFTIOBUAQGN-UHFFFAOYSA-N
XLogP3.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-methyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285072
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 7119085
5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41246978
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 7640538
3-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
CID 7522047
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 72718645
5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166393
2,5-dimethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 110323254
5-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxybenzenesulfonamide
CID 44826619
2,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322519
4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285025
2-methoxy-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4,5-dimethylbenzenesulfonamide
CID 110398405

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 7693532) is 5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCCc1csc(-c2cccs2)n1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is HFHYFTIOBUAQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S3/c1-22-13-5-4-11(17)9-15(13)25(20,21)18-7-6-12-10-24-16(19-12)14-3-2-8-23-14/h2-5,8-10,18H,6-7H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 398.51 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7693532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).