2,5-difluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide

C18H14F3NO5S2 — CID 16799724

IUPAC2,5-difluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1cc(F)ccc1F
InChIInChI=1S/C18H14F3NO5S2/c19-12-3-6-14(7-4-12)28(23,24)18(16-2-1-9-27-16)11-22-29(25,26)17-10-13(20)5-8-15(17)21/h1-10,18,22H,11H2
InChIKeyVJMUWZCHBRSHKF-UHFFFAOYSA-N
MW445.44 g/mol
LogP3.19
Rot. Bonds7

About 2,5-difluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide

2,5-difluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide (PubChem CID 16799724) has the molecular formula C18H14F3NO5S2 and a molecular weight of 445.44 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide
PubChem CID16799724
Molecular FormulaC18H14F3NO5S2
Molecular Weight445.44 g/mol
Exact Mass445.03
IUPAC Name2,5-difluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1cc(F)ccc1F
InChIInChI=1S/C18H14F3NO5S2/c19-12-3-6-14(7-4-12)28(23,24)18(16-2-1-9-27-16)11-22-29(25,26)17-10-13(20)5-8-15(17)21/h1-10,18,22H,11H2
InChIKeyVJMUWZCHBRSHKF-UHFFFAOYSA-N
XLogP3.19
TPSA93.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide (CID 16799724) is 2,5-difluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide is O=S(=O)(NCC(c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is VJMUWZCHBRSHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO5S2/c19-12-3-6-14(7-4-12)28(23,24)18(16-2-1-9-27-16)11-22-29(25,26)17-10-13(20)5-8-15(17)21/h1-10,18,22H,11H2.
What are the key properties of 2,5-difluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide?
2,5-difluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 445.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16799724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).