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

C17H15FN2O3S2 — CID 121166393

IUPAC5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1cccnc1-c1cccs1
InChIInChI=1S/C17H15FN2O3S2/c1-23-14-7-6-13(18)10-16(14)25(21,22)20-11-12-4-2-8-19-17(12)15-5-3-9-24-15/h2-10,20H,11H2,1H3
InChIKeyVIZBHCFHALQOOE-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.44
Rot. Bonds6

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

5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 121166393) has the molecular formula C17H15FN2O3S2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID121166393
Molecular FormulaC17H15FN2O3S2
Molecular Weight378.45 g/mol
Exact Mass378.05
IUPAC Name5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1cccnc1-c1cccs1
InChIInChI=1S/C17H15FN2O3S2/c1-23-14-7-6-13(18)10-16(14)25(21,22)20-11-12-4-2-8-19-17(12)15-5-3-9-24-15/h2-10,20H,11H2,1H3
InChIKeyVIZBHCFHALQOOE-UHFFFAOYSA-N
XLogP3.44
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166387
2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91625864
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide
CID 121166355
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 7693532
5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41246978
5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide
CID 126854274
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 39660154
3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166121
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide
CID 55691601
5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597100
5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 122265269

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide (CID 121166393) is 5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCc1cccnc1-c1cccs1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is VIZBHCFHALQOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S2/c1-23-14-7-6-13(18)10-16(14)25(21,22)20-11-12-4-2-8-19-17(12)15-5-3-9-24-15/h2-10,20H,11H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 378.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 121166393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).