N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide

C18H16FNO5S2 — CID 18574106

IUPACN-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(c1ccco1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO5S2/c19-14-8-10-16(11-9-14)27(23,24)20-13-18(17-7-4-12-25-17)26(21,22)15-5-2-1-3-6-15/h1-12,18,20H,13H2
InChIKeyAYFBXMSGTGFUCA-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide

N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 18574106) has the molecular formula C18H16FNO5S2 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID18574106
Molecular FormulaC18H16FNO5S2
Molecular Weight409.46 g/mol
Exact Mass409.05
IUPAC NameN-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(c1ccco1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO5S2/c19-14-8-10-16(11-9-14)27(23,24)20-13-18(17-7-4-12-25-17)26(21,22)15-5-2-1-3-6-15/h1-12,18,20H,13H2
InChIKeyAYFBXMSGTGFUCA-UHFFFAOYSA-N
XLogP2.91
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide (CID 18574106) is N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCC(c1ccco1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is AYFBXMSGTGFUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO5S2/c19-14-8-10-16(11-9-14)27(23,24)20-13-18(17-7-4-12-25-17)26(21,22)15-5-2-1-3-6-15/h1-12,18,20H,13H2.
What are the key properties of N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide?
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 409.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 18574106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).