N-[2-(furan-2-yl)-5-hydroxyphenyl]-3-(trifluoromethyl)benzenesulfonamide

C17H12F3NO4S — CID 10362525

IUPACN-[2-(furan-2-yl)-5-hydroxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(O)ccc1-c1ccco1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3NO4S/c18-17(19,20)11-3-1-4-13(9-11)26(23,24)21-15-10-12(22)6-7-14(15)16-5-2-8-25-16/h1-10,21-22H
InChIKeyKUFWNMYYKKGTTL-UHFFFAOYSA-N
MW383.35 g/mol
LogP4.47
Rot. Bonds4

About N-[2-(furan-2-yl)-5-hydroxyphenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-(furan-2-yl)-5-hydroxyphenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 10362525) has the molecular formula C17H12F3NO4S and a molecular weight of 383.35 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-5-hydroxyphenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-5-hydroxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID10362525
Molecular FormulaC17H12F3NO4S
Molecular Weight383.35 g/mol
Exact Mass383.04
IUPAC NameN-[2-(furan-2-yl)-5-hydroxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(O)ccc1-c1ccco1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3NO4S/c18-17(19,20)11-3-1-4-13(9-11)26(23,24)21-15-10-12(22)6-7-14(15)16-5-2-8-25-16/h1-10,21-22H
InChIKeyKUFWNMYYKKGTTL-UHFFFAOYSA-N
XLogP4.47
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-5-hydroxyphenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-5-hydroxyphenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 10362525) is N-[2-(furan-2-yl)-5-hydroxyphenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-5-hydroxyphenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-5-hydroxyphenyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cc(O)ccc1-c1ccco1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(furan-2-yl)-5-hydroxyphenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KUFWNMYYKKGTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO4S/c18-17(19,20)11-3-1-4-13(9-11)26(23,24)21-15-10-12(22)6-7-14(15)16-5-2-8-25-16/h1-10,21-22H.
What are the key properties of N-[2-(furan-2-yl)-5-hydroxyphenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-(furan-2-yl)-5-hydroxyphenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 383.35 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-5-hydroxyphenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 10362525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).