2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid

C14H19NO5S — CID 61039961

IUPAC2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NCCC2CCCO2)cc1
InChIInChI=1S/C14H19NO5S/c16-14(17)10-11-3-5-13(6-4-11)21(18,19)15-8-7-12-2-1-9-20-12/h3-6,12,15H,1-2,7-10H2,(H,16,17)
InChIKeyRGFUUSMGMUSPJI-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.16
Rot. Bonds7

About 2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid

2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid (PubChem CID 61039961) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid
PubChem CID61039961
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NCCC2CCCO2)cc1
InChIInChI=1S/C14H19NO5S/c16-14(17)10-11-3-5-13(6-4-11)21(18,19)15-8-7-12-2-1-9-20-12/h3-6,12,15H,1-2,7-10H2,(H,16,17)
InChIKeyRGFUUSMGMUSPJI-UHFFFAOYSA-N
XLogP1.16
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid (CID 61039961) is 2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)NCCC2CCCO2)cc1.
What is the InChIKey of 2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid?
The InChIKey is RGFUUSMGMUSPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c16-14(17)10-11-3-5-13(6-4-11)21(18,19)15-8-7-12-2-1-9-20-12/h3-6,12,15H,1-2,7-10H2,(H,16,17).
What are the key properties of 2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid?
2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid has a molecular weight of 313.38 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 61039961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).