5-fluoro-N-[2-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzene-1-sulfonamide

C19H17F2NO6S2 — CID 16032934

IUPAC5-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOC1=C(C=C(C=C1)F)S(=O)(=O)NCC(C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)F
InChIInChI=1S/C19H17F2NO6S2/c1-27-16-9-6-14(21)11-18(16)30(25,26)22-12-19(17-3-2-10-28-17)29(23,24)15-7-4-13(20)5-8-15/h2-11,19,22H,12H2,1H3
InChIKeyLQGKFCWYHSAMMW-UHFFFAOYSA-N
MW457.50 g/mol
LogP2.60
Rot. Bonds8

About 5-fluoro-N-[2-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzene-1-sulfonamide

5-fluoro-N-[2-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzene-1-sulfonamide (PubChem CID 16032934) has the molecular formula C19H17F2NO6S2 and a molecular weight of 457.50 g/mol. Its IUPAC name is 5-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzene-1-sulfonamide
PubChem CID16032934
Molecular FormulaC19H17F2NO6S2
Molecular Weight457.50 g/mol
Exact Mass457.05
IUPAC Name5-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOC1=C(C=C(C=C1)F)S(=O)(=O)NCC(C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)F
InChIInChI=1S/C19H17F2NO6S2/c1-27-16-9-6-14(21)11-18(16)30(25,26)22-12-19(17-3-2-10-28-17)29(23,24)15-7-4-13(20)5-8-15/h2-11,19,22H,12H2,1H3
InChIKeyLQGKFCWYHSAMMW-UHFFFAOYSA-N
XLogP2.60
TPSA119.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity759

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzene-1-sulfonamide?
The IUPAC name of 5-fluoro-N-[2-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzene-1-sulfonamide (CID 16032934) is 5-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[2-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzene-1-sulfonamide?
The canonical SMILES for 5-fluoro-N-[2-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzene-1-sulfonamide is COC1=C(C=C(C=C1)F)S(=O)(=O)NCC(C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)F.
What is the InChIKey of 5-fluoro-N-[2-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzene-1-sulfonamide?
The InChIKey is LQGKFCWYHSAMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO6S2/c1-27-16-9-6-14(21)11-18(16)30(25,26)22-12-19(17-3-2-10-28-17)29(23,24)15-7-4-13(20)5-8-15/h2-11,19,22H,12H2,1H3.
What are the key properties of 5-fluoro-N-[2-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzene-1-sulfonamide?
5-fluoro-N-[2-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzene-1-sulfonamide has a molecular weight of 457.50 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(4-fluorobenzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzene-1-sulfonamide is sourced from PubChem (CID 16032934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).