2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid

C15H21NO6S — CID 154743450

IUPAC2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid
SMILESCC(NS(=O)(=O)c1ccc(OCC(=O)O)cc1)C1CCOCC1
InChIInChI=1S/C15H21NO6S/c1-11(12-6-8-21-9-7-12)16-23(19,20)14-4-2-13(3-5-14)22-10-15(17)18/h2-5,11-12,16H,6-10H2,1H3,(H,17,18)
InChIKeyKBWMPDROXFMGPV-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.24
Rot. Bonds7

About 2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid

2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid (PubChem CID 154743450) has the molecular formula C15H21NO6S and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid
PubChem CID154743450
Molecular FormulaC15H21NO6S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Name2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid
SMILESCC(NS(=O)(=O)c1ccc(OCC(=O)O)cc1)C1CCOCC1
InChIInChI=1S/C15H21NO6S/c1-11(12-6-8-21-9-7-12)16-23(19,20)14-4-2-13(3-5-14)22-10-15(17)18/h2-5,11-12,16H,6-10H2,1H3,(H,17,18)
InChIKeyKBWMPDROXFMGPV-UHFFFAOYSA-N
XLogP1.24
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid
CID 80717459
2-[4-(3,3-dimethylbutan-2-ylsulfamoyl)phenoxy]acetic acid
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2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]phenoxy]acetic acid
CID 79236547
2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid
CID 43275314
2-(4-propan-2-ylsulfonylphenoxy)acetic acid
CID 82646763
4-acetyl-N-[(1S)-1-cyclopropylethyl]benzenesulfonamide
CID 8816988
4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816993
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide
CID 1307702
2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid
CID 61403339
2-[4-(1-cyclopropylethylcarbamoylamino)phenoxy]acetic acid
CID 63773425
2-[4-(2-methylsulfinylpropylsulfamoyl)phenoxy]acetic acid
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3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide
CID 103768645

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid (CID 154743450) is 2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid is CC(NS(=O)(=O)c1ccc(OCC(=O)O)cc1)C1CCOCC1.
What is the InChIKey of 2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid?
The InChIKey is KBWMPDROXFMGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6S/c1-11(12-6-8-21-9-7-12)16-23(19,20)14-4-2-13(3-5-14)22-10-15(17)18/h2-5,11-12,16H,6-10H2,1H3,(H,17,18).
What are the key properties of 2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid?
2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid has a molecular weight of 343.40 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(oxan-4-yl)ethylsulfamoyl]phenoxy]acetic acid is sourced from PubChem (CID 154743450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).