4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide

C18H17FN2O4S — CID 91625585

IUPAC4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccc(-c3ccco3)nc2)cc1F
InChIInChI=1S/C18H17FN2O4S/c1-2-24-17-8-6-14(10-15(17)19)26(22,23)21-12-13-5-7-16(20-11-13)18-4-3-9-25-18/h3-11,21H,2,12H2,1H3
InChIKeyUPLDYVBKTWNFOK-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.36
Rot. Bonds7

About 4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide

4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 91625585) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID91625585
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Name4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccc(-c3ccco3)nc2)cc1F
InChIInChI=1S/C18H17FN2O4S/c1-2-24-17-8-6-14(10-15(17)19)26(22,23)21-12-13-5-7-16(20-11-13)18-4-3-9-25-18/h3-11,21H,2,12H2,1H3
InChIKeyUPLDYVBKTWNFOK-UHFFFAOYSA-N
XLogP3.36
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide
CID 121197305
N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782021
3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 934514
3-fluoro-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methoxybenzenesulfonamide
CID 71797278
4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 110758068
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-methylbenzenesulfonamide
CID 91630513
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91816113
4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110758038
N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 110782022
2-fluoro-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 91630514
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-ethoxy-3-fluorobenzenesulfonamide
CID 71780339

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide (CID 91625585) is 4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2ccc(-c3ccco3)nc2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is UPLDYVBKTWNFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-2-24-17-8-6-14(10-15(17)19)26(22,23)21-12-13-5-7-16(20-11-13)18-4-3-9-25-18/h3-11,21H,2,12H2,1H3.
What are the key properties of 4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide?
4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 376.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-[[6-(furan-2-yl)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 91625585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).