4-fluoro-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-2-methylbenzenesulfonamide

C19H18FNO4S — CID 126852748

IUPAC4-fluoro-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C19H18FNO4S/c1-13-11-16(20)8-9-19(13)26(23,24)21-12-17(22)14-4-6-15(7-5-14)18-3-2-10-25-18/h2-11,17,21-22H,12H2,1H3
InChIKeyLYDUAHLUZUECFU-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.41
Rot. Bonds6

About 4-fluoro-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-2-methylbenzenesulfonamide

4-fluoro-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-2-methylbenzenesulfonamide (PubChem CID 126852748) has the molecular formula C19H18FNO4S and a molecular weight of 375.42 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-2-methylbenzenesulfonamide
PubChem CID126852748
Molecular FormulaC19H18FNO4S
Molecular Weight375.42 g/mol
Exact Mass375.09
IUPAC Name4-fluoro-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C19H18FNO4S/c1-13-11-16(20)8-9-19(13)26(23,24)21-12-17(22)14-4-6-15(7-5-14)18-3-2-10-25-18/h2-11,17,21-22H,12H2,1H3
InChIKeyLYDUAHLUZUECFU-UHFFFAOYSA-N
XLogP3.41
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-2-methylbenzenesulfonamide (CID 126852748) is 4-fluoro-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCC(O)c1ccc(-c2ccco2)cc1.
What is the InChIKey of 4-fluoro-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-2-methylbenzenesulfonamide?
The InChIKey is LYDUAHLUZUECFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4S/c1-13-11-16(20)8-9-19(13)26(23,24)21-12-17(22)14-4-6-15(7-5-14)18-3-2-10-25-18/h2-11,17,21-22H,12H2,1H3.
What are the key properties of 4-fluoro-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-2-methylbenzenesulfonamide?
4-fluoro-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-2-methylbenzenesulfonamide has a molecular weight of 375.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 126852748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).