N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-3-(trifluoromethyl)benzenesulfonamide

C19H16F3NO4S — CID 126852755

IUPACN-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1ccc(-c2ccco2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3NO4S/c20-19(21,22)15-3-1-4-16(11-15)28(25,26)23-12-17(24)13-6-8-14(9-7-13)18-5-2-10-27-18/h1-11,17,23-24H,12H2
InChIKeyFNEXJKAHARIIHP-UHFFFAOYSA-N
MW411.40 g/mol
LogP3.98
Rot. Bonds6

About N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 126852755) has the molecular formula C19H16F3NO4S and a molecular weight of 411.40 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID126852755
Molecular FormulaC19H16F3NO4S
Molecular Weight411.40 g/mol
Exact Mass411.08
IUPAC NameN-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1ccc(-c2ccco2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3NO4S/c20-19(21,22)15-3-1-4-16(11-15)28(25,26)23-12-17(24)13-6-8-14(9-7-13)18-5-2-10-27-18/h1-11,17,23-24H,12H2
InChIKeyFNEXJKAHARIIHP-UHFFFAOYSA-N
XLogP3.98
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-3-(trifluoromethyl)benzenesulfonamide (CID 126852755) is N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC(O)c1ccc(-c2ccco2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FNEXJKAHARIIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO4S/c20-19(21,22)15-3-1-4-16(11-15)28(25,26)23-12-17(24)13-6-8-14(9-7-13)18-5-2-10-27-18/h1-11,17,23-24H,12H2.
What are the key properties of N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 411.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 126852755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).