N-[5-(2,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzenesulfonamide

C16H11F2NO5S — CID 90080765

IUPACN-[5-(2,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1oc(-c2ccc(F)cc2F)c(O)c1O)c1ccccc1
InChIInChI=1S/C16H11F2NO5S/c17-9-6-7-11(12(18)8-9)15-13(20)14(21)16(24-15)19-25(22,23)10-4-2-1-3-5-10/h1-8,19-21H
InChIKeyIXAHJWCFJSVRKM-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.44
Rot. Bonds4

About N-[5-(2,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzenesulfonamide

N-[5-(2,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzenesulfonamide (PubChem CID 90080765) has the molecular formula C16H11F2NO5S and a molecular weight of 367.33 g/mol. Its IUPAC name is N-[5-(2,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzenesulfonamide
PubChem CID90080765
Molecular FormulaC16H11F2NO5S
Molecular Weight367.33 g/mol
Exact Mass367.03
IUPAC NameN-[5-(2,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1oc(-c2ccc(F)cc2F)c(O)c1O)c1ccccc1
InChIInChI=1S/C16H11F2NO5S/c17-9-6-7-11(12(18)8-9)15-13(20)14(21)16(24-15)19-25(22,23)10-4-2-1-3-5-10/h1-8,19-21H
InChIKeyIXAHJWCFJSVRKM-UHFFFAOYSA-N
XLogP3.44
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydroxy-5-quinolin-4-ylfuran-2-yl)benzenesulfonamide
CID 136631431
N-[5-(2-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]methanesulfonamide
CID 90082030
[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081276
N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608
[2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081480
[2-amino-5-(2,4-difluorophenyl)-4-hydroxyfuran-3-yl] phenylmethanesulfonate
CID 123951459
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050545
[2-(benzenesulfonamido)-5-(3-chloro-2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081582
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
N-(2-amino-4-fluorophenyl)benzenesulfonamide
CID 16778352
[2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081966
N-[2-benzyl-4-(4-fluoro-2-methoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 67625196

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzenesulfonamide?
The IUPAC name of N-[5-(2,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzenesulfonamide (CID 90080765) is N-[5-(2,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(2,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(2,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzenesulfonamide is O=S(=O)(Nc1oc(-c2ccc(F)cc2F)c(O)c1O)c1ccccc1.
What is the InChIKey of N-[5-(2,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzenesulfonamide?
The InChIKey is IXAHJWCFJSVRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO5S/c17-9-6-7-11(12(18)8-9)15-13(20)14(21)16(24-15)19-25(22,23)10-4-2-1-3-5-10/h1-8,19-21H.
What are the key properties of N-[5-(2,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzenesulfonamide?
N-[5-(2,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzenesulfonamide has a molecular weight of 367.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzenesulfonamide is sourced from PubChem (CID 90080765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).