2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid

C13H16ClNO6S — CID 146130981

IUPAC2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1Cl
InChIInChI=1S/C13H16ClNO6S/c14-11-6-10(3-4-12(11)21-8-13(16)17)22(18,19)15-7-9-2-1-5-20-9/h3-4,6,9,15H,1-2,5,7-8H2,(H,16,17)/t9-/m1/s1
InChIKeyPYLZKGFDIHGBME-SECBINFHSA-N
MW349.79 g/mol
LogP1.26
Rot. Bonds7

About 2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid

2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid (PubChem CID 146130981) has the molecular formula C13H16ClNO6S and a molecular weight of 349.79 g/mol. Its IUPAC name is 2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid
PubChem CID146130981
Molecular FormulaC13H16ClNO6S
Molecular Weight349.79 g/mol
Exact Mass349.04
IUPAC Name2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1Cl
InChIInChI=1S/C13H16ClNO6S/c14-11-6-10(3-4-12(11)21-8-13(16)17)22(18,19)15-7-9-2-1-5-20-9/h3-4,6,9,15H,1-2,5,7-8H2,(H,16,17)/t9-/m1/s1
InChIKeyPYLZKGFDIHGBME-SECBINFHSA-N
XLogP1.26
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide
CID 102551738
2-(2-chlorophenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17105878
3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43098597
2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide
CID 27242841
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
N-[2-ethoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 6458754
N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide
CID 95864984
N-[2-methoxy-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 42066685
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 43081600
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7477015
4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
CID 6471718

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid (CID 146130981) is 2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid?
The InChIKey is PYLZKGFDIHGBME-SECBINFHSA-N. The full InChI is InChI=1S/C13H16ClNO6S/c14-11-6-10(3-4-12(11)21-8-13(16)17)22(18,19)15-7-9-2-1-5-20-9/h3-4,6,9,15H,1-2,5,7-8H2,(H,16,17)/t9-/m1/s1.
What are the key properties of 2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid?
2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid has a molecular weight of 349.79 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid is sourced from PubChem (CID 146130981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).