2-fluoro-N-[4-(2-hydroxyethyl)phenyl]-5-methylbenzenesulfonamide

C15H16FNO3S — CID 61221795

IUPAC2-fluoro-N-[4-(2-hydroxyethyl)phenyl]-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccc(CCO)cc2)c1
InChIInChI=1S/C15H16FNO3S/c1-11-2-7-14(16)15(10-11)21(19,20)17-13-5-3-12(4-6-13)8-9-18/h2-7,10,17-18H,8-9H2,1H3
InChIKeyBSJXREPFLUZQTB-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.47
Rot. Bonds5

About 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]-5-methylbenzenesulfonamide

2-fluoro-N-[4-(2-hydroxyethyl)phenyl]-5-methylbenzenesulfonamide (PubChem CID 61221795) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(2-hydroxyethyl)phenyl]-5-methylbenzenesulfonamide
PubChem CID61221795
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name2-fluoro-N-[4-(2-hydroxyethyl)phenyl]-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccc(CCO)cc2)c1
InChIInChI=1S/C15H16FNO3S/c1-11-2-7-14(16)15(10-11)21(19,20)17-13-5-3-12(4-6-13)8-9-18/h2-7,10,17-18H,8-9H2,1H3
InChIKeyBSJXREPFLUZQTB-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]-5-methylbenzenesulfonamide (CID 61221795) is 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]-5-methylbenzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)Nc2ccc(CCO)cc2)c1.
What is the InChIKey of 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]-5-methylbenzenesulfonamide?
The InChIKey is BSJXREPFLUZQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-11-2-7-14(16)15(10-11)21(19,20)17-13-5-3-12(4-6-13)8-9-18/h2-7,10,17-18H,8-9H2,1H3.
What are the key properties of 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]-5-methylbenzenesulfonamide?
2-fluoro-N-[4-(2-hydroxyethyl)phenyl]-5-methylbenzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 61221795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).