5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide

C17H15FN2O4S — CID 121196914

IUPAC5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1ccc(-c2ccoc2)nc1
InChIInChI=1S/C17H15FN2O4S/c1-23-16-5-3-14(18)8-17(16)25(21,22)20-10-12-2-4-15(19-9-12)13-6-7-24-11-13/h2-9,11,20H,10H2,1H3
InChIKeyIKQCUHGRRVIBJB-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.97
Rot. Bonds6

About 5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide

5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide (PubChem CID 121196914) has the molecular formula C17H15FN2O4S and a molecular weight of 362.38 g/mol. Its IUPAC name is 5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide
PubChem CID121196914
Molecular FormulaC17H15FN2O4S
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Name5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1ccc(-c2ccoc2)nc1
InChIInChI=1S/C17H15FN2O4S/c1-23-16-5-3-14(18)8-17(16)25(21,22)20-10-12-2-4-15(19-9-12)13-6-7-24-11-13/h2-9,11,20H,10H2,1H3
InChIKeyIKQCUHGRRVIBJB-UHFFFAOYSA-N
XLogP2.97
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]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

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 121196945
5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide
CID 119103357
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propane-1-sulfonamide
CID 121196930
2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 121196651
5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122162697
5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 53288976
methyl 4-fluoro-2-(furan-3-ylmethylsulfamoyl)benzoate
CID 103833532
2-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 62990585
1-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 121196851
5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide
CID 126854274
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 55627601
3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91816113

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide (CID 121196914) is 5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCc1ccc(-c2ccoc2)nc1.
What is the InChIKey of 5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide?
The InChIKey is IKQCUHGRRVIBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4S/c1-23-16-5-3-14(18)8-17(16)25(21,22)20-10-12-2-4-15(19-9-12)13-6-7-24-11-13/h2-9,11,20H,10H2,1H3.
What are the key properties of 5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide?
5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide has a molecular weight of 362.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 121196914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).