2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetic acid

C17H18FNO5S — CID 14579417

IUPAC2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetic acid
SMILESCC(CNS(=O)(=O)c1ccccc1)c1ccc(OCC(=O)O)c(F)c1
InChIInChI=1S/C17H18FNO5S/c1-12(10-19-25(22,23)14-5-3-2-4-6-14)13-7-8-16(15(18)9-13)24-11-17(20)21/h2-9,12,19H,10-11H2,1H3,(H,20,21)
InChIKeySPCIZHHTZKTXNO-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.37
Rot. Bonds8

About 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetic acid

2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetic acid (PubChem CID 14579417) has the molecular formula C17H18FNO5S and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetic acid
PubChem CID14579417
Molecular FormulaC17H18FNO5S
Molecular Weight367.40 g/mol
Exact Mass367.09
IUPAC Name2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetic acid
SMILESCC(CNS(=O)(=O)c1ccccc1)c1ccc(OCC(=O)O)c(F)c1
InChIInChI=1S/C17H18FNO5S/c1-12(10-19-25(22,23)14-5-3-2-4-6-14)13-7-8-16(15(18)9-13)24-11-17(20)21/h2-9,12,19H,10-11H2,1H3,(H,20,21)
InChIKeySPCIZHHTZKTXNO-UHFFFAOYSA-N
XLogP2.37
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetic acid?
The IUPAC name of 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetic acid (CID 14579417) is 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetic acid.
What is the SMILES notation for 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetic acid?
The canonical SMILES for 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetic acid is CC(CNS(=O)(=O)c1ccccc1)c1ccc(OCC(=O)O)c(F)c1.
What is the InChIKey of 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetic acid?
The InChIKey is SPCIZHHTZKTXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO5S/c1-12(10-19-25(22,23)14-5-3-2-4-6-14)13-7-8-16(15(18)9-13)24-11-17(20)21/h2-9,12,19H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetic acid?
2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetic acid has a molecular weight of 367.40 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetic acid is sourced from PubChem (CID 14579417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).